data_[V4Cr4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [4.4359]
_cell_length_b [4.9467]
_cell_length_c [5.6705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [VCrC]
_chemical_formula_sum '[V4 Cr4 C4]'
_cell_volume [124.4283]
_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  0.2325  0.8239  0.3600  1.0
  Cr  Cr1  4  0.2464  0.3270  0.1317  1.0
  C  C2  2  0.0000  0.0000  0.6280  1.0
  C  C3  2  0.0000  0.5000  0.8832  1.0
]