data_[Hf9V24W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0808]
_cell_length_b [5.0808]
_cell_length_c [25.4174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf3V8W]
_chemical_formula_sum '[Hf9 V24 W3]'
_cell_volume [568.2340]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0023  1.0
  Hf  Hf1  3  0.0000  0.0000  0.4982  1.0
  Hf  Hf2  3  0.0000  0.0000  0.6248  1.0
  V  V3  9  0.0028  0.5014  0.0650  1.0
  V  V4  9  0.1681  0.3363  0.8929  1.0
  V  V5  3  0.0000  0.0000  0.3141  1.0
  V  V6  3  0.0000  0.0000  0.8116  1.0
  W  W7  3  0.0000  0.0000  0.1249  1.0
]