data_[Hf8Ta8W8]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.9168]
_cell_length_b [5.5059]
_cell_length_c [9.3876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfTaW]
_chemical_formula_sum '[Hf8 Ta8 W8]'
_cell_volume [460.8820]
_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  0.1819  0.0000  0.3328  1.0
  Hf  Hf1  4  0.3070  0.0000  0.6671  1.0
  Ta  Ta2  4  0.2467  0.0000  0.0016  1.0
  Ta  Ta3  4  0.5000  0.2444  0.4139  1.0
  W  W4  4  0.0000  0.2429  0.5857  1.0
  W  W5  2  0.0000  0.0000  0.8298  1.0
  W  W6  2  0.5000  0.0000  0.1680  1.0
]