data_[Hf6Bi1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.5249]
_cell_length_b [5.5249]
_cell_length_c [5.5249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [200]
_chemical_formula_structural [Hf6BiPt]
_chemical_formula_sum '[Hf6 Bi1 Pt1]'
_cell_volume [168.6408]
_cell_formula_units_Z [1]
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
[
  Hf  Hf0  6  0.0000  0.2422  0.5000  1.0
  Bi  Bi1  1  0.5000  0.5000  0.5000  1.0
  Pt  Pt2  1  0.0000  0.0000  0.0000  1.0
]