data_ReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.09
_cell_length_b   12.09
_cell_length_c   12.09
_cell_angle_alpha   166.87
_cell_angle_beta   166.87
_cell_angle_gamma   18.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReOs2
_chemical_formula_sum   'Re2 Os4'
_cell_volume   91.19
_cell_formula_units_Z   2
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  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.0  0.38  0.96  1.0
  Os  Os0  1  0.0  0.0  0.07  1.0
  Os  Os1  1  0.38  0.0  0.82  1.0
  Os  Os2  1  0.0  0.0  0.79  1.0
  Os  Os3  1  0.38  0.0  0.1  1.0

data_ReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   12.09
_cell_angle_alpha   96.57
_cell_angle_beta   96.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReOs2
_chemical_formula_sum   'Re2 Os4'
_cell_volume   91.19
_cell_formula_units_Z   2
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  0.0  1.0
  Re  Re1  1  0.42  0.38  0.42  1.0
  Os  Os2  1  0.18  0.0  0.56  1.0
  Os  Os3  1  0.21  0.0  0.21  1.0
  Os  Os4  1  0.9  0.0  0.28  1.0
  Os  Os5  1  0.93  0.0  0.93  1.0

Re Re Os Os Os Os
Re Re Os Os Os Os 0 2 o o o 1 3 - o - 1 3 o o o 1 3 o + + 1 3 - + o 1 5 - o o 1 5 o o + 1 5 o + 1 1 + o + 1 1 o + + 1 4 o o o 3 3 + o + 3 3 o + + 4 5 o o + 