data_[Cs12In8Pb12]
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 [Cmcm]
_cell_length_a [4.8897]
_cell_length_b [15.4829]
_cell_length_c [19.0503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3In2Pb3]
_chemical_formula_sum '[Cs12 In8 Pb12]'
_cell_volume [1442.2341]
_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  8  0.0000  0.0519  0.6023  1.0
  Cs  Cs1  4  0.0000  0.3653  0.7500  1.0
  In  In2  8  0.0000  0.2438  0.1123  1.0
  Pb  Pb3  8  0.0000  0.3316  0.5344  1.0
  Pb  Pb4  4  0.0000  0.3503  0.2500  1.0
]