data_[Hf3Zr9V24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1754]
_cell_length_b [5.1754]
_cell_length_c [25.6106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HfZr3V8]
_chemical_formula_sum '[Hf3 Zr9 V24]'
_cell_volume [594.0609]
_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  0.8749  1.0
  Zr  Zr1  3  0.0000  0.0000  0.3751  1.0
  Zr  Zr2  3  0.0000  0.0000  0.5003  1.0
  Zr  Zr3  3  0.0000  0.0000  0.9996  1.0
  V  V4  9  0.0017  0.5009  0.4384  1.0
  V  V5  9  0.1672  0.3345  0.2700  1.0
  V  V6  3  0.0000  0.0000  0.1881  1.0
  V  V7  3  0.0000  0.0000  0.6869  1.0
]