data_[V8Zn1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.7915]
_cell_length_b [7.7915]
_cell_length_c [2.5884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [V8ZnH6]
_chemical_formula_sum '[V8 Zn1 H6]'
_cell_volume [136.0837]
_cell_formula_units_Z [1]
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
[
  V  V0  6  0.0217  0.6836  0.2096  1.0
  V  V1  2  0.3333  0.6667  0.8773  1.0
  Zn  Zn2  1  0.0000  0.0000  0.5000  1.0
  H  H3  6  0.1676  0.4650  0.2941  1.0
]