data_Re6Se7Br4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.21
_cell_length_b   12.21
_cell_length_c   12.21
_cell_angle_alpha   48.28
_cell_angle_beta   48.28
_cell_angle_gamma   48.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re6Se7Br4
_chemical_formula_sum   'Re12 Se14 Br8'
_cell_volume   929.47
_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
  Re  Re0  1  0.48  0.88  0.04  1.0
  Re  Re1  1  0.87  0.74  0.04  1.0
  Re  Re2  1  0.66  0.38  0.04  1.0
  Re  Re3  1  0.34  0.5  0.43  1.0
  Re  Re4  1  0.13  0.51  0.43  1.0
  Re  Re5  1  0.53  1.0  0.43  1.0
  Re  Re6  1  0.53  0.12  0.21  1.0
  Re  Re7  1  0.13  0.26  0.21  1.0
  Re  Re8  1  0.34  0.61  0.21  1.0
  Re  Re9  1  0.67  0.5  0.83  1.0
  Re  Re10  1  0.87  0.5  0.83  1.0
  Re  Re11  1  0.46  0.01  0.83  1.0
  Se  Se12  1  0.33  0.42  0.14  1.0
  Se  Se13  1  0.73  0.34  0.14  1.0
  Se  Se14  1  0.93  0.23  0.14  1.0
  Se  Se15  1  0.06  0.35  0.52  1.0
  Se  Se16  1  0.27  0.11  0.52  1.0
  Se  Se17  1  0.67  0.54  0.52  1.0
  Se  Se18  1  0.67  0.57  0.14  1.0
  Se  Se19  1  0.26  0.66  0.14  1.0
  Se  Se20  1  0.06  0.76  0.14  1.0
  Se  Se21  1  0.95  0.65  0.76  1.0
  Se  Se22  1  0.74  0.9  0.76  1.0
  Se  Se23  1  0.32  0.46  0.76  1.0
  Se  Se24  1  0.0  0.0  0.01  1.0
  Se  Se25  1  0.0  0.0  0.16  1.0
  Br  Br26  1  0.39  0.38  0.45  1.0
  Br  Br27  1  0.38  0.52  0.45  1.0
  Br  Br28  1  0.23  0.11  0.45  1.0
  Br  Br29  1  0.77  0.87  0.83  1.0
  Br  Br30  1  0.63  0.63  0.83  1.0
  Br  Br31  1  0.6  0.5  0.83  1.0
  Br  Br32  1  0.0  0.0  0.37  1.0
  Br  Br33  1  0.0  0.0  0.23  1.0

data_Re6Se7Br4
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.99
_cell_length_b   9.99
_cell_length_c   12.21
_cell_angle_alpha   65.86
_cell_angle_beta   65.86
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re6Se7Br4
_chemical_formula_sum   'Re12 Se14 Br8'
_cell_volume   929.47
_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
  Re  Re0  1  0.0  0.57  0.95  1.0
  Re  Re1  1  0.12  0.96  0.4  1.0
  Re  Re2  1  0.26  0.96  0.65  1.0
  Re  Re3  1  0.39  0.79  0.17  1.0
  Re  Re4  1  0.49  0.57  0.07  1.0
  Re  Re5  1  0.5  0.17  0.2  1.0
  Re  Re6  1  0.5  0.17  0.99  1.0
  Re  Re7  1  0.5  0.57  0.26  1.0
  Re  Re8  1  0.62  0.96  0.08  1.0
  Re  Re9  1  0.74  0.79  0.6  1.0
  Re  Re10  1  0.88  0.79  0.87  1.0
  Re  Re11  1  0.99  0.17  0.3  1.0
  Se  Se12  1  0.0  0.84  0.16  1.0
  Se  Se13  1  0.0  0.99  0.01  1.0
  Se  Se14  1  0.1  0.24  0.4  1.0
  Se  Se15  1  0.24  0.86  0.97  1.0
  Se  Se16  1  0.34  0.86  0.07  1.0
  Se  Se17  1  0.35  0.24  0.35  1.0
  Se  Se18  1  0.43  0.86  0.39  1.0
  Se  Se19  1  0.46  0.48  0.74  1.0
  Se  Se20  1  0.54  0.24  0.54  1.0
  Se  Se21  1  0.58  0.86  0.9  1.0
  Se  Se22  1  0.65  0.48  0.93  1.0
  Se  Se23  1  0.66  0.86  0.22  1.0
  Se  Se24  1  0.77  0.86  0.31  1.0
  Se  Se25  1  0.89  0.48  0.9  1.0
  Br  Br26  1  0.0  0.63  0.37  1.0
  Br  Br27  1  0.0  0.77  0.23  1.0
  Br  Br28  1  0.13  0.17  0.47  1.0
  Br  Br29  1  0.37  0.17  0.09  1.0
  Br  Br30  1  0.48  0.55  0.34  1.0
  Br  Br31  1  0.5  0.17  0.93  1.0
  Br  Br32  1  0.62  0.55  0.22  1.0
  Br  Br33  1  0.89  0.55  0.79  1.0

Re Re Re Re Re Re Re Re Re Re Re Re Se Se Se Se Se Se Se Se Se Se Se Se Se Se Br Br Br Br Br Br Br Br