data_ReSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   10.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSbSe2
_chemical_formula_sum   'Re1 Sb1 Se2'
_cell_volume   97.61
_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  0.33  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.51  0.51  0.76  1.0
  Se  Se3  1  0.51  0.51  0.9  1.0

data_ReSbSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   10.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSbSe2
_chemical_formula_sum   'Re2 Sb2 Se4'
_cell_volume   195.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.33  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.01  0.5  0.76  1.0
  Se  Se3  2  0.01  0.5  0.9  1.0

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