data_NbVCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.68
_cell_angle_alpha   100.8
_cell_angle_beta   100.8
_cell_angle_gamma   115.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCr2
_chemical_formula_sum   'Nb1 V1 Cr2'
_cell_volume   54.32
_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  0.61  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.83  0.08  0.25  1.0
  Cr  Cr1  1  0.83  0.92  0.25  1.0

data_NbVCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   115.82
_cell_angle_beta   100.8
_cell_angle_gamma   100.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCr2
_chemical_formula_sum   'Nb1 V1 Cr2'
_cell_volume   54.32
_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  0.61  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.25  0.83  0.92  1.0
  Cr  Cr3  1  0.25  0.83  0.08  1.0

Nb V Cr Cr