data_[V8Cr16Ni12C12]
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
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4992]
_cell_length_b [4.9085]
_cell_length_c [12.4565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V2Cr4(NiC)3]
_chemical_formula_sum '[V8 Cr16 Ni12 C12]'
_cell_volume [505.7506]
_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  0.0499  0.5834  0.4012  1
  Cr  Cr1  8  0.1117  0.0842  0.0846  1
  Cr  Cr2  8  0.2218  0.0829  0.4153  1
  Ni  Ni3  8  0.1944  0.3890  0.2503  1
  Ni  Ni4  4  0.0000  0.0287  0.7500  1
  C  C5  8  0.0820  0.2538  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]