data_NbCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.47
_cell_length_c   2.65
_cell_angle_alpha   82.31
_cell_angle_beta   74.49
_cell_angle_gamma   23.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2
_chemical_formula_sum   'Nb1 Cr2'
_cell_volume   41.35
_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  0.0  1.0
  Cr  Cr0  1  0.51  0.17  0.53  1.0
  Cr  Cr1  1  0.51  0.17  0.06  1.0

data_NbCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   6.47
_cell_angle_alpha   97.69
_cell_angle_beta   97.69
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2
_chemical_formula_sum   'Nb1 Cr2'
_cell_volume   41.35
_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  0.0  1.0
  Cr  Cr1  1  0.51  0.47  0.68  1.0
  Cr  Cr2  1  0.51  0.94  0.68  1.0

Nb Cr Cr