data_FAPbCl3_work7_NoConSym
_audit_creation_date              2022-05-24
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'PCCN'
_symmetry_Int_Tables_number       56
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x+1/2,-y+1/2,z
  -x,y+1/2,-z+1/2
  x+1/2,-y,-z+1/2
  -x,-y,-z
  x+1/2,y+1/2,-z
  x,-y+1/2,z+1/2
  -x+1/2,y,z+1/2
_cell_length_a                    11.7054
_cell_length_b                    11.4073
_cell_length_c                    12.4175
_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
Pb1    Pb    0.25000   0.25000   0.48049   1.00
Pb2    Pb   -0.25000   0.25000   0.48900   1.00
Cl1    Cl    0.25000   0.25000  -0.23638   1.00
Cl2    Cl    0.00247   0.24968  -0.01175   1.00
Cl3    Cl    0.23949   0.49805  -0.04501   1.00
Cl4    Cl   -0.25000   0.25000   0.19433   1.00
C      C    -0.48006   0.50086  -0.25167   1.00
N1     N    -0.52755   0.41277  -0.30304   1.00
N2     N    -0.52174   0.54661  -0.16315   1.00
H1     H    -0.48496   0.61753  -0.12603   1.00
H2     H    -0.40104   0.53720  -0.28565   1.00
H3     H    -0.59869   0.51964  -0.13007   1.00
H4     H    -0.49153   0.37880  -0.37175   1.00
H5     H    -0.59991   0.37166  -0.27466   1.00
