data_NbCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3
_chemical_formula_sum   'Nb2 Cr6'
_cell_volume   108.19
_cell_formula_units_Z   2
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  Nb6  1  0.38  0.38  0.38  1.0
  Nb  Nb7  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.38  0.57  0.0  1.0
  Cr  Cr1  1  0.38  0.19  0.0  1.0
  Cr  Cr2  1  0.57  0.0  0.38  1.0
  Cr  Cr3  1  0.0  0.38  0.57  1.0
  Cr  Cr4  1  0.0  0.38  0.19  1.0
  Cr  Cr5  1  0.19  0.0  0.38  1.0

data_NbCr3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   NbCr3
_chemical_formula_sum   'Nb6 Cr18'
_cell_volume   324.57
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.38  1.0
  Cr  Cr2  9  -0.0  0.81  0.19  1.0
  Cr  Cr3  9  0.01  0.41  0.99  1.0

Nb Nb Cr Cr Cr Cr Cr Cr