data_[Hf12Re2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Re  1.9000  1.3500  0.7125
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6989]
_cell_length_b [7.4694]
_cell_length_c [11.2386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6ReBi2]
_chemical_formula_sum '[Hf12 Re2 Bi4]'
_cell_volume [413.1931]
_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  4  0.0986  0.0429  0.2425  1
  Hf  Hf1  4  0.1499  0.7109  0.0355  1
  Hf  Hf2  4  0.3896  0.1615  0.0280  1
  Re  Re3  2  0.5000  0.0000  0.5000  1
  Bi  Bi4  4  0.3677  0.0997  0.7380  1
]