data_[Nb8V4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8301]
_cell_length_b [4.5251]
_cell_length_c [6.0773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2VC2]
_chemical_formula_sum '[Nb8 V4 C8]'
_cell_volume [248.4413]
_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
[
  Nb  Nb0  4  0.0161  0.0000  0.7607  1
  Nb  Nb1  4  0.1714  0.5000  0.5914  1
  V  V2  4  0.1490  0.5000  0.0992  1
  C  C3  4  0.0032  0.5000  0.7602  1
  C  C4  4  0.1689  0.0000  0.5886  1
]