data_[Hf8Re8]
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
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [7.9395]
_cell_length_b [7.9395]
_cell_length_c [4.9463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [HfRe]
_chemical_formula_sum '[Hf8 Re8]'
_cell_volume [311.7965]
_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  0.0806  0.2868  0.5000  1
  Hf  Hf1  4  0.0855  0.6999  0.0000  1
  Re  Re2  4  0.2582  0.4178  0.0000  1
  Re  Re3  4  0.2837  0.5657  0.5000  1
]