data_[Ba12Bi12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9524]
_cell_length_b [12.4537]
_cell_length_c [16.8920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Bi3Pt2]
_chemical_formula_sum '[Ba12 Bi12 Pt8]'
_cell_volume [1041.8377]
_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
[
  Ba  Ba0  8  0.0000  0.0828  0.6092  1
  Ba  Ba1  4  0.0000  0.3694  0.7500  1
  Bi  Bi2  8  0.0000  0.3584  0.5330  1
  Bi  Bi3  4  0.0000  0.3251  0.2500  1
  Pt  Pt4  8  0.0000  0.2024  0.1008  1
]