data_Re3Se4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.7
_cell_length_c   28.22
_cell_angle_alpha   96.29
_cell_angle_beta   92.21
_cell_angle_gamma   86.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Se4Cl
_chemical_formula_sum   'Re6 Se8 Cl2'
_cell_volume   1248.5
_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  Re2  1  0.82  0.35  0.21  1.0
  Re  Re3  1  0.68  0.15  0.08  1.0
  Re  Re4  1  0.01  0.3  0.12  1.0
  Re  Re5  1  0.49  0.2  0.16  1.0
  Re  Re6  1  0.84  0.99  0.15  1.0
  Re  Re7  1  0.66  0.51  0.13  1.0
  Se  Se8  1  0.02  0.95  0.07  1.0
  Se  Se9  1  0.15  0.13  0.2  1.0
  Se  Se10  1  0.99  0.63  0.17  1.0
  Se  Se11  1  0.51  0.87  0.11  1.0
  Se  Se12  1  0.66  0.04  0.23  1.0
  Se  Se13  1  0.48  0.55  0.21  1.0
  Se  Se14  1  0.35  0.37  0.09  1.0
  Se  Se15  1  0.84  0.46  0.05  1.0
  Cl  Cl0  1  0.91  0.47  0.29  1.0
  Cl  Cl1  1  0.59  0.03  0.0  1.0

Re Re Re Re Re Re Se Se Se Se Se Se Se Se Cl Cl 0 3 o o o 0 4 o - o 0 10 o o o 0 5 o o o 0 11 o o o 0 7 + o o 0 2 + o o 0 8 o o o 0 14 o o o 1 15 o o o 1 9 o - o 1 12 o o o 1 3 o o o 1 6 + - o 1 4 o - o 1 13 o o o 1 2 + o o 1 5 o o o 2 6 o - o 2 4 - - o 2 13 - o o 2 5 - o o 2 7 o o o 2 12 o o o 2 8 - o o 3 9 o - o 3 7 o o o 3 12 o o o 3 4 o - o 3 10 o o o 3 5 o o o 3 11 o o o 4 9 o o o 4 10 o + o 4 6 + o o 4 8 o o o 4 7 + + o 5 12 o o o 5 9 o o o 5 11 o o o 5 13 o o o 5 8 o o o 
data_Re3Se4Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.66
_cell_length_b   6.7
_cell_length_c   28.22
_cell_angle_alpha   83.71
_cell_angle_beta   87.79
_cell_angle_gamma   86.13
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Re3Se4Cl
_chemical_formula_sum   'Re6 Se8 Cl2'
_cell_volume   1248.5
_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  0.07  0.6  0.94  1.0
  Re  Re1  2  0.09  0.24  0.99  1.0
  Re  Re2  2  0.26  0.55  0.02  1.0
  Se  Se3  2  0.09  0.71  0.09  1.0
  Se  Se4  2  0.24  0.88  0.97  1.0
  Se  Se5  2  0.27  0.2  0.07  1.0
  Se  Se6  2  0.4  0.38  0.94  1.0
  Cl  Cl7  2  0.16  0.72  0.86  1.0
