data_ReSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiSe2
_chemical_formula_sum   'Re1 Si1 Se2'
_cell_volume   71.72
_cell_formula_units_Z   1
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  0.74  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.52  0.0  0.83  1.0
  Se  Se2  1  0.52  0.0  0.64  1.0

data_ReSiSe2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.92
_cell_length_b   9.47
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   117.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ReSiSe2
_chemical_formula_sum   'Re1 Si1 Se2'
_cell_volume   71.72
_cell_formula_units_Z   1
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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.26  0.0  1.0
  Se  Se2  1  0.5  0.17  0.0  1.0
  Se  Se3  1  0.5  0.36  0.0  1.0

Re Si Se Se
Re Si Se Se 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 0 1 o o + 1 2 - o - 1 2 o o - 2 3 o o o 