data_ReSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSe2
_chemical_formula_sum   'Re2 Se4'
_cell_volume   109.82
_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  0.0  0.28  1.0
  Re  Re1  1  0.0  0.0  0.43  1.0
  Se  Se2  1  0.0  0.72  0.6  1.0
  Se  Se3  1  0.36  0.36  0.75  1.0
  Se  Se4  1  0.36  0.36  0.11  1.0
  Se  Se5  1  0.0  0.72  0.97  1.0

data_ReSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSe2
_chemical_formula_sum   'Re2 Se4'
_cell_volume   109.82
_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  0.0  0.28  1.0
  Re  Re1  1  0.0  0.0  0.43  1.0
  Se  Se2  1  0.0  0.72  0.6  1.0
  Se  Se3  1  0.0  0.72  0.97  1.0
  Se  Se4  1  0.36  0.36  0.11  1.0
  Se  Se5  1  0.36  0.36  0.75  1.0

Re Re Se Se Se Se
Re Re Se Se Se Se 0 1 o o o 0 4 o o o 0 5 o - - 1 2 o - o 1 3 o o o 2 5 o o o 3 4 o o + 