data_[Hf9V24Mo3]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0886]
_cell_length_b [5.0886]
_cell_length_c [25.3585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf3V8Mo]
_chemical_formula_sum '[Hf9 V24 Mo3]'
_cell_volume [568.6599]
_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  0.0022  1.0
  Hf  Hf1  3  0.0000  0.0000  0.4983  1.0
  Hf  Hf2  3  0.0000  0.0000  0.6248  1.0
  V  V3  9  0.0022  0.5011  0.0646  1.0
  V  V4  9  0.1677  0.3354  0.8934  1.0
  V  V5  3  0.0000  0.0000  0.3140  1.0
  V  V6  3  0.0000  0.0000  0.8117  1.0
  Mo  Mo7  3  0.0000  0.0000  0.1250  1.0
]