data_[Hf8Ta8Re8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.8169]
_cell_length_b [5.4704]
_cell_length_c [9.3080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfTaRe]
_chemical_formula_sum '[Hf8 Ta8 Re8]'
_cell_volume [448.9396]
_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  0.1806  0.0000  0.3335  1.0
  Hf  Hf1  4  0.3023  0.0000  0.6677  1.0
  Ta  Ta2  4  0.2428  0.0000  0.0028  1.0
  Ta  Ta3  4  0.5000  0.2446  0.4126  1.0
  Re  Re4  4  0.0000  0.2418  0.5859  1.0
  Re  Re5  2  0.0000  0.0000  0.8285  1.0
  Re  Re6  2  0.5000  0.0000  0.1669  1.0
]