data_[V6Cr1C1]
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 [P-1]
_cell_length_a [4.3876]
_cell_length_b [4.8996]
_cell_length_c [5.0029]
_cell_angle_alpha [96.5180]
_cell_angle_beta [111.2867]
_cell_angle_gamma [90.8746]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V6CrC]
_chemical_formula_sum '[V6 Cr1 C1]'
_cell_volume [99.3800]
_cell_formula_units_Z [1]
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  0.0581  0.7859  0.6423  1.0
  V  V1  2  0.2037  0.3542  0.9407  1.0
  V  V2  2  0.4247  0.8994  0.2509  1.0
  Cr  Cr3  1  0.5000  0.5000  0.5000  1.0
  C  C4  1  0.0000  0.0000  0.0000  1.0
]