data_[Hf16Bi2Pt4]
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 [C2/m]
_cell_length_a [14.6280]
_cell_length_b [5.6445]
_cell_length_c [5.8295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8BiPt2]
_chemical_formula_sum '[Hf16 Bi2 Pt4]'
_cell_volume [480.4969]
_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
[
  Hf  Hf0  8  0.1007  0.2570  0.6464  1
  Hf  Hf1  4  0.0944  0.5000  0.1244  1
  Hf  Hf2  4  0.2206  0.0000  0.1197  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.2423  0.5000  0.4021  1
]