data_[V8Cd2B6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0691]
_cell_length_b [3.0691]
_cell_length_c [23.4185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [V4CdB3]
_chemical_formula_sum '[V8 Cd2 B6]'
_cell_volume [191.0310]
_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
[
  V  V0  4  0.0000  0.0000  0.1489  1
  V  V1  4  0.3333  0.6667  0.0500  1
  Cd  Cd2  2  0.3333  0.6667  0.2500  1
  B  B3  4  0.3333  0.6667  0.6039  1
  B  B4  2  0.0000  0.0000  0.0000  1
]