data_[Hf8Re8W8]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.6832]
_cell_length_b [5.3620]
_cell_length_c [9.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfReW]
_chemical_formula_sum '[Hf8 Re8 W8]'
_cell_volume [431.3495]
_cell_formula_units_Z [8]
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  0.1881  0.0000  0.3335  1.0
  Hf  Hf1  4  0.3095  0.0000  0.6669  1.0
  Re  Re2  4  0.0000  0.2419  0.5860  1.0
  Re  Re3  2  0.0000  0.0000  0.8277  1.0
  Re  Re4  2  0.5000  0.0000  0.1695  1.0
  W  W5  4  0.2450  0.0000  0.0012  1.0
  W  W6  4  0.5000  0.2463  0.4141  1.0
]