data_Re3(TeBr)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.33
_cell_length_b   13.33
_cell_length_c   13.33
_cell_angle_alpha   46.94
_cell_angle_beta   46.94
_cell_angle_gamma   46.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3(TeBr)7
_chemical_formula_sum   'Re6 Te14 Br14'
_cell_volume   1155.24
_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  0.25  0.16  0.55  1.0
  Re  Re1  1  0.58  0.33  0.96  1.0
  Re  Re2  1  0.75  0.84  0.96  1.0
  Re  Re3  1  0.42  0.67  0.55  1.0
  Re  Re4  1  0.67  0.83  0.96  1.0
  Re  Re5  1  0.33  0.17  0.55  1.0
  Te  Te6  1  0.2  0.61  0.73  1.0
  Te  Te7  1  0.47  0.48  0.05  1.0
  Te  Te8  1  0.84  0.21  0.77  1.0
  Te  Te9  1  0.95  0.93  0.05  1.0
  Te  Te10  1  0.64  0.6  0.73  1.0
  Te  Te11  1  0.53  0.52  0.46  1.0
  Te  Te12  1  0.05  0.07  0.46  1.0
  Te  Te13  1  0.0  0.0  0.32  1.0
  Te  Te14  1  0.42  0.41  0.46  1.0
  Te  Te15  1  0.8  0.39  0.77  1.0
  Te  Te16  1  0.58  0.59  0.05  1.0
  Te  Te17  1  0.36  0.4  0.77  1.0
  Te  Te18  1  0.0  0.0  0.18  1.0
  Te  Te19  1  0.16  0.79  0.73  1.0
  Br  Br20  1  0.2  0.44  0.29  1.0
  Br  Br21  1  0.8  0.56  0.22  1.0
  Br  Br22  1  0.2  0.57  0.54  1.0
  Br  Br23  1  0.0  0.0  0.89  1.0
  Br  Br24  1  0.41  0.62  0.54  1.0
  Br  Br25  1  0.59  0.38  0.97  1.0
  Br  Br26  1  0.0  0.0  0.62  1.0
  Br  Br27  1  0.39  0.81  0.54  1.0
  Br  Br28  1  0.61  0.19  0.97  1.0
  Br  Br29  1  0.65  0.72  0.29  1.0
  Br  Br30  1  0.35  0.28  0.22  1.0
  Br  Br31  1  0.85  0.16  0.22  1.0
  Br  Br32  1  0.15  0.84  0.29  1.0
  Br  Br33  1  0.8  0.43  0.97  1.0

data_Re3(TeBr)7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   10.62
_cell_length_b   10.62
_cell_length_c   13.33
_cell_angle_alpha   66.53
_cell_angle_beta   66.53
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Re3(TeBr)7
_chemical_formula_sum   'Re6 Te14 Br14'
_cell_volume   1155.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.8  0.29  1.0
  Re  Re1  2  0.17  0.8  0.2  1.0
  Re  Re2  2  0.33  0.2  0.39  1.0
  Te  Te3  2  0.0  0.43  0.07  1.0
  Te  Te4  2  0.07  0.71  0.68  1.0
  Te  Te5  2  0.21  0.02  0.43  1.0
  Te  Te6  2  0.39  0.02  0.29  1.0
  Te  Te7  2  0.4  0.02  0.72  1.0
  Te  Te8  2  0.41  0.71  0.96  1.0
  Te  Te9  2  0.48  0.29  0.26  1.0
  Br  Br10  2  0.0  0.14  0.36  1.0
  Br  Br11  2  0.16  0.46  0.03  1.0
  Br  Br12  2  0.19  0.21  0.49  1.0
  Br  Br13  2  0.28  0.46  0.41  1.0
  Br  Br14  2  0.38  0.21  0.32  1.0
  Br  Br15  2  0.43  0.21  0.05  1.0
  Br  Br16  2  0.44  0.54  0.32  1.0

Re Re Re Re Re Re Te Te Te Te Te Te Te Te Te Te Te Te Te Te Br Br Br Br Br Br Br Br Br Br Br Br Br Br
Re Re Re Re Re Re Te Te Te Te Te Te Te Te Te Te Te Te Te Te Br Br Br Br Br Br Br Br Br Br Br Br Br Br 0 5 o o o 1 25 o o o 1 15 o o o 1 28 o o o 2 4 o o o 3 24 o o o 3 6 o o o 3 27 o o o 6 17 o o o 6 24 o o o 6 19 o o o 7 25 o o - 8 28 o o o 8 23 + o o 8 15 o o o 9 23 + + - 10 25 o o o 10 15 o o o 11 24 o o o 12 26 o o o 13 31 - o o 13 32 o - o 13 18 o o o 14 22 o o o 15 25 o o o 16 33 o o - 17 24 o o o 18 31 - o o 18 32 o - o 19 26 o + o 19 27 o o o 20 30 o o o 21 29 o o o 