data_NbV2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2C
_chemical_formula_sum   'Nb1 V2 C1'
_cell_volume   50.34
_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
  Nb  Nb1  1  0.0  0.0  0.71  1.0
  V  V2  1  0.54  0.0  0.07  1.0
  V  V3  1  0.54  0.0  0.35  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_NbV2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2C
_chemical_formula_sum   'Nb1 V2 C1'
_cell_volume   50.34
_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
  Nb  Nb0  1  0.0  0.0  0.71  1.0
  V  V1  1  0.54  0.0  0.07  1.0
  V  V2  1  0.54  0.0  0.35  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Nb V V C
Nb V V C 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o o 0 2 o o o 0 1 - o + 0 1 o o + 0 3 o o + 1 3 o o o 1 3 + o o 1 2 o o o 2 3 o o o 2 3 + o o 2 2 o + o 2 2 + o o 