data_[Cs12Sb12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8177]
_cell_length_b [14.3039]
_cell_length_c [16.8895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3Sb3Pt2]
_chemical_formula_sum '[Cs12 Sb12 Pt8]'
_cell_volume [1163.9008]
_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  0.0497  0.6066  1.0
  Cs  Cs1  4  0.0000  0.3834  0.7500  1.0
  Sb  Sb2  8  0.0000  0.3072  0.5492  1.0
  Sb  Sb3  4  0.0000  0.3137  0.2500  1.0
  Pt  Pt4  8  0.0000  0.2482  0.1025  1.0
]