data_NbVCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCr2
_chemical_formula_sum   'Nb1 V1 Cr2'
_cell_volume   54.54
_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  Nb2  1  0.0  0.0  0.15  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.51  0.0  0.94  1.0
  Cr  Cr1  1  0.51  0.0  0.37  1.0

data_NbVCr2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.64
_cell_length_b   8.31
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   110.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   NbVCr2
_chemical_formula_sum   'Nb1 V1 Cr2'
_cell_volume   54.54
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.85  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.5  0.06  0.0  1.0
  Cr  Cr3  1  0.5  0.63  0.0  1.0

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