data_[Cs12In4Pb8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7771]
_cell_length_b [5.3852]
_cell_length_c [15.6091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3InPb2]
_chemical_formula_sum '[Cs12 In4 Pb8]'
_cell_volume [1241.8856]
_cell_formula_units_Z [4]
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  4  0.1304  0.5000  0.0294  1.0
  Cs  Cs1  4  0.1504  0.0000  0.2604  1.0
  Cs  Cs2  4  0.1566  0.0000  0.5827  1.0
  In  In3  4  0.0666  0.5000  0.7524  1.0
  Pb  Pb4  4  0.0514  0.5000  0.4190  1.0
  Pb  Pb5  4  0.1081  0.0000  0.8447  1.0
]