data_ReSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.79
_cell_length_c   27.2
_cell_angle_alpha   91.83
_cell_angle_beta   104.16
_cell_angle_gamma   118.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSe2
_chemical_formula_sum   'Re4 Se8'
_cell_volume   1028.16
_cell_formula_units_Z   4
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  0.94  0.68  0.13  1.0
  Re  Re1  1  0.51  0.71  0.13  1.0
  Re  Re2  1  0.49  0.29  0.13  1.0
  Re  Re3  1  0.06  0.32  0.13  1.0
  Se  Se4  1  0.73  0.34  0.07  1.0
  Se  Se5  1  0.78  0.89  0.08  1.0
  Se  Se6  1  0.25  0.38  0.06  1.0
  Se  Se7  1  0.25  0.87  0.08  1.0
  Se  Se8  1  0.75  0.13  0.18  1.0
  Se  Se9  1  0.75  0.62  0.21  1.0
  Se  Se10  1  0.22  0.11  0.19  1.0
  Se  Se11  1  0.27  0.66  0.2  1.0

Re Re Re Re Se Se Se Se Se Se Se Se 0 4 o o o 0 9 o o o 0 2 o o o 0 5 o o o 0 1 o o o 0 3 + o o 0 11 + o o 0 7 + o o 0 10 + + o 1 6 o o o 1 11 o o o 1 3 o o o 1 7 o o o 1 9 o o o 1 2 o o o 1 5 o o o 1 8 o + o 2 7 o - o 2 10 o o o 2 6 o o o 2 3 o o o 2 8 o o o 2 4 o o o 2 9 o o o 3 5 - - o 3 8 - o o 3 4 - o o 3 10 o o o 3 6 o o o 3 11 o o o 5 7 + o o 8 10 + o o 
data_ReSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.66
_cell_length_b   6.79
_cell_length_c   26.2
_cell_angle_alpha   84.08
_cell_angle_beta   82.84
_cell_angle_gamma   61.14
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReSe2
_chemical_formula_sum   'Re4 Se8'
_cell_volume   1028.16
_cell_formula_units_Z   4
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  0.01  0.29  0.5  1.0
  Re  Re1  2  0.43  0.32  0.5  1.0
  Se  Se2  2  0.17  0.46  0.43  1.0
  Se  Se3  2  0.2  0.91  0.45  1.0
  Se  Se4  2  0.29  0.59  0.57  1.0
  Se  Se5  2  0.33  0.05  0.56  1.0
