data_[Cs1In1Pb2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5466]
_cell_length_b [8.1639]
_cell_length_c [10.6397]
_cell_angle_alpha [73.6264]
_cell_angle_beta [79.0852]
_cell_angle_gamma [76.1258]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsIn(PbI4)2]
_chemical_formula_sum '[Cs1 In1 Pb2 I8]'
_cell_volume [605.3378]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4444  0.4412  0.7369  1.0
  I  I3  2  0.1412  0.7070  0.2385  1.0
  I  I4  2  0.2593  0.2083  0.0104  1.0
  I  I5  2  0.2645  0.8310  0.8119  1.0
  I  I6  2  0.4215  0.2605  0.5209  1.0
]