data_[V12C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9298]
_cell_length_b [9.4016]
_cell_length_c [7.1324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [V3C2]
_chemical_formula_sum '[V12 C8]'
_cell_volume [196.4585]
_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  8  0.0000  0.1394  0.5713  1.0
  V  V1  4  0.0000  0.4099  0.7500  1.0
  C  C2  4  0.0000  0.2397  0.2500  1.0
  C  C3  4  0.0000  0.5000  0.0000  1.0
]