data_NbCr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr4
_chemical_formula_sum   'Nb4 Cr16'
_cell_volume   274.61
_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  Nb16  1  0.65  0.35  0.35  1.0
  Nb  Nb17  1  0.75  0.75  0.75  1.0
  Nb  Nb18  1  0.35  0.35  0.65  1.0
  Nb  Nb19  1  0.35  0.65  0.35  1.0
  Cr  Cr0  1  0.09  0.91  0.91  1.0
  Cr  Cr1  1  0.19  0.19  0.19  1.0
  Cr  Cr2  1  0.91  0.91  0.09  1.0
  Cr  Cr3  1  0.91  0.09  0.91  1.0
  Cr  Cr4  1  0.0  0.0  0.81  1.0
  Cr  Cr5  1  0.0  0.0  0.38  1.0
  Cr  Cr6  1  0.0  0.81  0.0  1.0
  Cr  Cr7  1  0.0  0.38  0.0  1.0
  Cr  Cr8  1  0.38  0.0  0.0  1.0
  Cr  Cr9  1  0.81  0.0  0.0  1.0
  Cr  Cr10  1  0.0  0.09  0.96  1.0
  Cr  Cr11  1  0.09  0.0  0.13  1.0
  Cr  Cr12  1  0.09  0.96  0.0  1.0
  Cr  Cr13  1  0.0  0.13  0.09  1.0
  Cr  Cr14  1  0.13  0.09  0.0  1.0
  Cr  Cr15  1  0.96  0.0  0.09  1.0

data_NbCr4
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.58
_cell_length_b   11.58
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   NbCr4
_chemical_formula_sum   'Nb12 Cr48'
_cell_volume   823.83
_cell_formula_units_Z   12
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+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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  9  0.2  0.1  0.45  1.0
  Nb  Nb1  3  0.0  0.0  0.75  1.0
  Cr  Cr2  9  0.02  0.94  0.08  1.0
  Cr  Cr3  9  0.06  0.12  0.94  1.0
  Cr  Cr4  9  0.08  0.02  0.02  1.0
  Cr  Cr5  9  0.12  0.06  0.97  1.0
  Cr  Cr6  9  0.21  0.42  0.79  1.0
  Cr  Cr7  3  0.0  0.0  0.19  1.0

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