data_[Hf20V2Sb10]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [11.0664]
_cell_length_b [11.0664]
_cell_length_c [5.5834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [97]
_chemical_formula_structural [Hf10VSb5]
_chemical_formula_sum '[Hf20 V2 Sb10]'
_cell_volume [683.7752]
_cell_formula_units_Z [2]
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  16  0.0762  0.2159  0.7638  1.0
  Hf  Hf1  4  0.0000  0.5000  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  8  0.1640  0.3360  0.2500  1.0
  Sb  Sb4  2  0.0000  0.0000  0.5000  1.0
]