data_NbRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67
_cell_length_b   10.67
_cell_length_c   10.67
_cell_angle_alpha   163.04
_cell_angle_beta   163.04
_cell_angle_gamma   24.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2
_chemical_formula_sum   'Nb2 Re4'
_cell_volume   103.39
_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  Nb0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.57  0.22  1.0
  Re  Re2  1  0.57  0.0  0.62  1.0
  Re  Re3  1  0.57  0.0  0.82  1.0
  Re  Re4  1  0.0  0.0  0.84  1.0
  Re  Re5  1  0.0  0.0  0.04  1.0

data_NbRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   10.67
_cell_angle_alpha   98.48
_cell_angle_beta   98.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2
_chemical_formula_sum   'Nb2 Re4'
_cell_volume   103.39
_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  Nb0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.36  0.57  0.36  1.0
  Re  Re2  1  0.16  0.0  0.16  1.0
  Re  Re3  1  0.18  0.0  0.75  1.0
  Re  Re4  1  0.38  0.0  0.96  1.0
  Re  Re5  1  0.96  0.0  0.96  1.0

Nb Nb Re Re Re Re
Nb Nb Re Re Re Re 0 5 o o o 0 2 - o - 0 4 o o - 1 1 + o + 1 1 o + + 1 4 o + o 1 4 o o - 2 5 + o + 2 3 o o o 3 5 + o + 