data_[Hf12V2Zn10]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6926]
_cell_length_b [14.0610]
_cell_length_c [6.5785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf6VZn5]
_chemical_formula_sum '[Hf12 V2 Zn10]'
_cell_volume [434.0678]
_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  8  0.0000  0.1654  0.2465  1
  Hf  Hf1  4  0.0000  0.5000  0.2454  1
  V  V2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  4  0.0000  0.3317  0.5000  1
  Zn  Zn4  4  0.0000  0.3362  0.0000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]