data_[Hf8As8W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6311]
_cell_length_b [3.1991]
_cell_length_c [9.6367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfAsW]
_chemical_formula_sum '[Hf8 As8 W8]'
_cell_volume [440.1510]
_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  0.0665  0.0000  0.6654  1
  Hf  Hf1  4  0.0666  0.5000  0.1683  1
  As  As2  4  0.1061  0.5000  0.4502  1
  As  As3  4  0.1172  0.5000  0.9118  1
  W  W4  4  0.2328  0.0000  0.3576  1
  W  W5  4  0.2469  0.0000  0.8647  1
]