data_ReSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   18.68
_cell_angle_beta   18.68
_cell_angle_gamma   18.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSbOs2
_chemical_formula_sum   'Re1 Sb1 Os2'
_cell_volume   64.79
_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  Re2  1  0.0  0.0  0.23  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.53  1.0
  Os  Os1  1  0.0  0.0  0.93  1.0

data_ReSbOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   2.91
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSbOs2
_chemical_formula_sum   'Re2 Sb2 Os4'
_cell_volume   129.58
_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  0.77  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.07  1.0
  Os  Os3  2  0.0  0.0  0.47  1.0

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