data_[Hf3Zr6V27]
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 [R-3m]
_cell_length_a [5.3037]
_cell_length_b [5.3037]
_cell_length_c [23.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HfZr2V9]
_chemical_formula_sum '[Hf3 Zr6 V27]'
_cell_volume [582.1085]
_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  0.0000  1.0
  Zr  Zr1  6  0.0000  0.0000  0.1441  1.0
  V  V2  18  0.0020  0.5010  0.9191  1.0
  V  V3  6  0.0000  0.0000  0.3331  1.0
  V  V4  3  -0.0000  -0.0000  0.5000  1.0
]