data_[Bi24Pd4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0007]
_cell_length_b [13.9133]
_cell_length_c [7.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Bi6PdPt3]
_chemical_formula_sum '[Bi24 Pd4 Pt12]'
_cell_volume [1084.5417]
_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  0.1531  0.2675  0.6914  1.0
  Bi  Bi1  8  0.1589  0.4827  0.1838  1.0
  Bi  Bi2  4  0.0000  0.0270  0.7985  1.0
  Bi  Bi3  4  0.0000  0.2193  0.1252  1.0
  Pd  Pd4  4  0.0000  0.1494  0.4858  1.0
  Pt  Pt5  8  0.2010  0.1200  0.9580  1.0
  Pt  Pt6  4  0.0000  0.3939  0.9094  1.0
]