data_NbRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   6.93
_cell_length_c   2.75
_cell_angle_alpha   82.48
_cell_angle_beta   75.0
_cell_angle_gamma   22.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2
_chemical_formula_sum   'Nb1 Re2'
_cell_volume   47.88
_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
  Re  Re1  1  0.58  0.25  0.47  1.0
  Re  Re2  1  0.58  0.25  0.02  1.0

data_NbRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   6.93
_cell_angle_alpha   97.52
_cell_angle_beta   97.52
_cell_angle_gamma   109.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2
_chemical_formula_sum   'Nb1 Re2'
_cell_volume   47.88
_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
  Re  Re1  1  0.58  0.53  0.83  1.0
  Re  Re2  1  0.58  0.98  0.83  1.0

Nb Re Re
Nb Re Re 0 2 - o o 0 1 - o o 1 2 o o o 