data_ReSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.23
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   111.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSbSe2
_chemical_formula_sum   'Re1 Sb1 Se2'
_cell_volume   83.68
_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  0.32  0.0  0.26  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.1  0.12  0.05  1.0
  Se  Se3  1  0.54  0.12  0.47  1.0

data_ReSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.38
_cell_length_c   4.84
_cell_angle_alpha   111.14
_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   83.68
_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  0.68  0.74  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.88  0.46  0.53  1.0
  Se  Se3  1  0.88  0.9  0.95  1.0

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