data_ReSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   5.96
_cell_angle_alpha   112.7
_cell_angle_beta   112.7
_cell_angle_gamma   27.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSbSe2
_chemical_formula_sum   'Re1 Sb1 Se2'
_cell_volume   103.07
_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  0.74  0.0  0.5  1.0
  Sb  Sb1  1  0.65  0.0  0.57  1.0
  Se  Se2  1  0.03  0.0  0.23  1.0
  Se  Se3  1  0.5  0.0  0.36  1.0

data_ReSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.96
_cell_length_c   6.36
_cell_angle_alpha   112.7
_cell_angle_beta   103.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSbSe2
_chemical_formula_sum   'Re1 Sb1 Se2'
_cell_volume   103.07
_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  0.5  0.74  1.0
  Sb  Sb1  1  0.0  0.57  0.65  1.0
  Se  Se2  1  0.0  0.23  0.03  1.0
  Se  Se3  1  0.0  0.36  0.5  1.0

Re Sb Se Se