data_ReSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   130.74
_cell_angle_beta   130.74
_cell_angle_gamma   72.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSb2Os
_chemical_formula_sum   'Re1 Sb2 Os1'
_cell_volume   73.48
_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  Re1  1  0.0  0.0  0.1  1.0
  Sb  Sb2  1  0.0  0.12  0.05  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.12  0.0  0.05  1.0

data_ReSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.08
_cell_angle_alpha   114.63
_cell_angle_beta   114.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSb2Os
_chemical_formula_sum   'Re1 Sb2 Os1'
_cell_volume   73.48
_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  0.9  0.0  0.9  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.07  0.12  0.07  1.0
  Os  Os3  1  0.95  0.0  0.07  1.0

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