data_[V12B2C6]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4458]
_cell_length_b [2.9809]
_cell_length_c [8.6018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [V6BC3]
_chemical_formula_sum '[V12 B2 C6]'
_cell_volume [203.0078]
_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  2  0.0748  0.2500  0.9065  1.0
  V  V1  2  0.1112  0.7500  0.4576  1.0
  V  V2  2  0.2055  0.2500  0.2452  1.0
  V  V3  2  0.2703  0.2500  0.7335  1.0
  V  V4  2  0.3897  0.7500  0.0552  1.0
  V  V5  2  0.4744  0.7500  0.6126  1.0
  B  B6  2  0.0551  0.7500  0.7035  1.0
  C  C7  2  0.1594  0.7500  0.0799  1.0
  C  C8  2  0.3136  0.2500  0.5011  1.0
  C  C9  2  0.4427  0.7500  0.8414  1.0
]