data_Nb2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   4.64
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Cr
_chemical_formula_sum   'Nb8 Cr4'
_cell_volume   194.23
_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
  Nb  Nb4  1  0.14  0.16  0.85  1.0
  Nb  Nb5  1  0.54  0.48  0.76  1.0
  Nb  Nb6  1  0.82  0.16  0.06  1.0
  Nb  Nb7  1  0.22  0.48  0.96  1.0
  Nb  Nb8  1  0.94  0.16  0.62  1.0
  Nb  Nb9  1  0.74  0.48  0.71  1.0
  Nb  Nb10  1  0.62  0.16  0.1  1.0
  Nb  Nb11  1  0.41  0.48  0.19  1.0
  Cr  Cr0  1  0.58  0.16  0.44  1.0
  Cr  Cr1  1  0.46  0.48  0.54  1.0
  Cr  Cr2  1  0.9  0.16  0.28  1.0
  Cr  Cr3  1  0.78  0.48  0.37  1.0

data_Nb2Cr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.64
_cell_length_b   5.36
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2Cr
_chemical_formula_sum   'Nb8 Cr4'
_cell_volume   194.23
_cell_formula_units_Z   4
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  2  0.34  0.14  0.15  1.0
  Nb  Nb1  2  0.34  0.26  0.71  1.0
  Nb  Nb2  2  0.34  0.46  0.94  1.0
  Nb  Nb3  2  0.34  0.94  0.19  1.0
  Cr  Cr4  2  0.34  0.22  0.37  1.0
  Cr  Cr5  2  0.34  0.9  0.54  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Cr Cr Cr Cr