data_[Cs4Bi4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5247]
_cell_length_b [5.0265]
_cell_length_c [9.0202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Bi2Pb3]
_chemical_formula_sum '[Cs4 Bi4 Pb6]'
_cell_volume [587.9919]
_cell_formula_units_Z [2]
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  0.1499  0.0000  0.7893  1.0
  Bi  Bi1  4  0.1567  0.0000  0.2613  1.0
  Pb  Pb2  4  0.0987  0.5000  0.4189  1.0
  Pb  Pb3  2  0.0000  0.5000  0.0000  1.0
]