data_[Bi2B4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4298]
_cell_length_b [9.5835]
_cell_length_c [7.4611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Bi(BPt4)2]
_chemical_formula_sum '[Bi2 B4 Pt16]'
_cell_volume [388.2502]
_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
[
  Bi  Bi0  2  0.0000  0.0000  0.5000  1
  B  B1  4  0.0000  0.3539  0.0000  1
  Pt  Pt2  8  0.2500  0.2500  0.1840  1
  Pt  Pt3  4  0.0000  0.2935  0.5000  1
  Pt  Pt4  4  0.0000  0.5000  0.2197  1
]