data_[Bi16Pt4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5066]
_cell_length_b [8.5161]
_cell_length_c [7.3307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi4PtCl]
_chemical_formula_sum '[Bi16 Pt4 Cl4]'
_cell_volume [817.1637]
_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
[
  Bi  Bi0  8  0.1324  0.2982  0.5587  1
  Bi  Bi1  4  0.0000  0.2916  0.0000  1
  Bi  Bi2  4  0.1962  0.5000  0.9390  1
  Pt  Pt3  4  0.0087  0.5000  0.3035  1
  Cl  Cl4  4  0.0731  0.0000  0.7797  1
]