data_Cs_Pb_Cl_DMSO
_audit_creation_date              2022-05-24
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    9.5262
_cell_length_b                    14.1760
_cell_length_c                    8.3379
_cell_angle_alpha                 90.0077
_cell_angle_beta                  114.5148
_cell_angle_gamma                 89.9838
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1    Pb    0.16419   0.89226   0.11741  1.00
Pb2    Pb    0.16401   0.60640   0.61724  1.00
Pb3    Pb   -0.16298   0.10657   0.88312  1.00
Pb4    Pb   -0.16360   0.39220   0.38301  1.00
Cs1    Cs    0.39490   0.89796   0.74847  1.00
Cs2    Cs    0.60624   0.10019   0.25150  1.00
Cs3    Cs    0.39452   0.60025   0.24805  1.00
Cs4    Cs    0.60613   0.39900   0.75184  1.00
O1     O     0.22926   0.49301   0.86527  1.00
O2     O    -0.22683   0.99341   0.63504  1.00
O3     O    -0.22897   0.50573   0.13536  1.00
O4     O     0.22774   0.00539   0.36557  1.00
S1     S     0.13443   0.09665   0.31706  1.00
S2     S     0.13554   0.40190   0.81698  1.00
S3     S    -0.13456   0.59656   0.18355  1.00
S4     S    -0.13295   0.90237   0.68345  1.00
Cl1    Cl    0.47158   0.62886   0.71348  1.00
Cl2    Cl    0.17734   0.43928   0.43756  1.00
Cl3    Cl   -0.16569   0.24324   0.63216  1.00
Cl4    Cl   -0.47066   0.12775   0.78698  1.00
Cl5    Cl   -0.17630   0.93925   0.06242  1.00
Cl6    Cl    0.16607   0.74297   0.86841  1.00
Cl7    Cl   -0.47106   0.37042   0.28722  1.00
Cl8    Cl   -0.17628   0.55940   0.56306  1.00
Cl9    Cl    0.16582   0.75538   0.36763  1.00
Cl10   Cl    0.47193   0.87033   0.21394  1.00
Cl11   Cl    0.17813   0.05971   0.93862  1.00
Cl12   Cl   -0.16591   0.25594   0.13146  1.00
C1     C     0.10415   0.37441   1.00797  1.00
C2     C    -0.10152   0.87490   0.49246  1.00
C3     C    -0.26630   0.80942   0.66113  1.00
C4     C     0.10209   0.12408   0.50748  1.00
C5     C    -0.10314   0.62355  -0.00760  1.00
C6     C    -0.26747   0.68983   0.16124  1.00
C7     C     0.26908   0.30898   0.83945  1.00
C8     C     0.26855   0.18930   0.34040  1.00
H1     H     0.21299   0.25715   0.34367  1.00
H2     H     0.37166   0.17767   0.46452  1.00
H3     H     0.04574   0.30568   0.98755  1.00
H4     H     0.02812   0.42826   1.02411  1.00
H5     H     0.21623   0.37358   0.12355  1.00
H7     H     0.21335   0.24126   0.84301  1.00
H8     H     0.37251   0.32041   0.96331  1.00
H9     H     0.29395   0.31151   0.72211  1.00
H10    H     0.29385   0.18657   0.22337  1.00
H11    H     0.21372   0.12408   0.62371  1.00
H12    H    -0.04333   0.80610   0.51252  1.00
H13    H    -0.02535   0.92867   0.47643  1.00
H14    H    -0.21361   0.87427   0.37689  1.00
H15    H    -0.21029   0.74170   0.65809  1.00
H16    H    -0.36965   0.82070   0.53712  1.00
H17    H    -0.29133   0.81221   0.77835  1.00
H18    H    -0.04367   0.69190   0.01263  1.00
H19    H    -0.02809   0.56909  -0.02394  1.00
H20    H    -0.21532   0.62483   0.87697  1.00
H21    H    -0.21134   0.75742   0.15785  1.00
H22    H    -0.37098   0.67857   0.03739  1.00
H23    H    -0.29235   0.68734   0.27858  1.00
H24    H     0.04475   0.19315   0.48766  1.00
H25    H     0.02484   0.07062   0.52218  1.00
