data_[V12B4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1744]
_cell_length_b [3.0608]
_cell_length_c [6.2425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3BH]
_chemical_formula_sum '[V12 B4 H4]'
_cell_volume [194.1014]
_cell_formula_units_Z [4]
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  0.0427  0.0000  0.2765  1.0
  V  V1  4  0.1455  0.5000  0.9203  1.0
  V  V2  4  0.2293  0.0000  0.6466  1.0
  B  B3  4  0.0810  0.5000  0.5560  1.0
  H  H4  4  0.1185  0.5000  0.1927  1.0
]