data_ReSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSe
_chemical_formula_sum   'Re4 Se4'
_cell_volume   180.32
_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  0.0  0.0  0.95  1.0
  Re  Re1  1  0.0  0.0  0.84  1.0
  Re  Re2  1  0.1  0.21  0.84  1.0
  Re  Re3  1  0.0  0.43  0.95  1.0
  Se  Se4  1  0.1  0.21  0.37  1.0
  Se  Se5  1  0.0  0.43  0.27  1.0
  Se  Se6  1  0.0  0.43  0.41  1.0
  Se  Se7  1  0.1  0.21  0.52  1.0

data_ReSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSe
_chemical_formula_sum   'Re4 Se4'
_cell_volume   180.32
_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  0.0  0.0  0.84  1.0
  Re  Re1  1  0.0  0.0  0.95  1.0
  Re  Re2  1  0.0  0.43  0.95  1.0
  Re  Re3  1  0.1  0.21  0.84  1.0
  Se  Se4  1  0.0  0.43  0.27  1.0
  Se  Se5  1  0.0  0.43  0.41  1.0
  Se  Se6  1  0.1  0.21  0.37  1.0
  Se  Se7  1  0.1  0.21  0.52  1.0

Re Re Re Re Se Se Se Se