data_Cs_Pb_Cl3_Orth
_audit_creation_date              2022-05-24
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'PBNM'
_symmetry_Int_Tables_number       62
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  x+1/2,-y+1/2,-z
  -x,-y,z+1/2
  -x+1/2,y+1/2,-z+1/2
  -x,-y,-z
  -x+1/2,y+1/2,z
  x,y,-z+1/2
  x+1/2,-y+1/2,z+1/2
_cell_length_a                    7.8565
_cell_length_b                    7.9536
_cell_length_c                    11.0290
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb     Pb    0.50000   0.00000   0.00000   1.00
Cs     Cs    0.98032   0.95097   0.25000   1.00
Cl1    Cl    0.10169   0.53544   0.25000   1.00
Cl2    Cl    0.78432   0.21676   0.04335   1.00
