data_NbRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   16.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2
_chemical_formula_sum   'Nb8 Re16'
_cell_volume   400.0
_cell_formula_units_Z   8
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  0.56  1.0
  Nb  Nb1  1  0.0  0.0  0.34  1.0
  Nb  Nb2  1  0.0  0.0  0.02  1.0
  Nb  Nb3  1  0.0  0.0  0.89  1.0
  Nb  Nb4  1  0.61  0.51  0.27  1.0
  Nb  Nb5  1  0.0  0.02  0.63  1.0
  Nb  Nb6  1  0.0  0.02  0.82  1.0
  Nb  Nb7  1  0.61  0.51  0.09  1.0
  Re  Re8  1  0.61  0.51  0.14  1.0
  Re  Re9  1  0.0  0.02  0.76  1.0
  Re  Re10  1  0.0  0.02  0.6  1.0
  Re  Re11  1  0.61  0.51  0.31  1.0
  Re  Re12  1  0.69  0.26  0.0  1.0
  Re  Re13  1  0.31  0.26  0.0  1.0
  Re  Re14  1  0.61  0.0  0.0  1.0
  Re  Re15  1  0.69  0.26  0.45  1.0
  Re  Re16  1  0.31  0.26  0.45  1.0
  Re  Re17  1  0.61  0.0  0.45  1.0
  Re  Re18  1  0.26  0.73  0.23  1.0
  Re  Re19  1  0.97  0.73  0.23  1.0
  Re  Re20  1  0.61  0.07  0.23  1.0
  Re  Re21  1  0.35  0.8  0.68  1.0
  Re  Re22  1  0.65  0.8  0.68  1.0
  Re  Re23  1  0.0  0.45  0.68  1.0

data_NbRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   16.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2
_chemical_formula_sum   'Nb8 Re16'
_cell_volume   400.0
_cell_formula_units_Z   8
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  0.02  1.0
  Nb  Nb1  1  0.0  0.0  0.34  1.0
  Nb  Nb2  1  0.0  0.0  0.56  1.0
  Nb  Nb3  1  0.0  0.0  0.89  1.0
  Nb  Nb4  1  0.0  0.02  0.63  1.0
  Nb  Nb5  1  0.0  0.02  0.82  1.0
  Nb  Nb6  1  0.61  0.51  0.09  1.0
  Nb  Nb7  1  0.61  0.51  0.27  1.0
  Re  Re8  1  0.0  0.02  0.6  1.0
  Re  Re9  1  0.0  0.02  0.76  1.0
  Re  Re10  1  0.0  0.45  0.68  1.0
  Re  Re11  1  0.26  0.73  0.23  1.0
  Re  Re12  1  0.31  0.26  0.0  1.0
  Re  Re13  1  0.31  0.26  0.45  1.0
  Re  Re14  1  0.35  0.8  0.68  1.0
  Re  Re15  1  0.61  0.0  0.0  1.0
  Re  Re16  1  0.61  0.0  0.45  1.0
  Re  Re17  1  0.61  0.07  0.23  1.0
  Re  Re18  1  0.61  0.51  0.14  1.0
  Re  Re19  1  0.61  0.51  0.31  1.0
  Re  Re20  1  0.65  0.8  0.68  1.0
  Re  Re21  1  0.69  0.26  0.0  1.0
  Re  Re22  1  0.69  0.26  0.45  1.0
  Re  Re23  1  0.97  0.73  0.23  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re