data_[Bi16Pt2Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2979]
_cell_length_b [8.3194]
_cell_length_c [7.4924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi8PtAu2]
_chemical_formula_sum '[Bi16 Pt2 Au4]'
_cell_volume [695.7279]
_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  8  0.1195  0.2810  0.8854  1
  Bi  Bi1  4  0.1401  0.5000  0.2550  1
  Bi  Bi2  4  0.1779  0.0000  0.3050  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0948  0.0000  0.6445  1
]