data_Re6Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   118.23
_cell_angle_beta   118.23
_cell_angle_gamma   118.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re6Os
_chemical_formula_sum   'Re6 Os1'
_cell_volume   106.03
_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  0.71  0.9  0.15  1.0
  Re  Re2  1  0.5  0.53  0.15  1.0
  Re  Re3  1  0.21  0.43  0.58  1.0
  Re  Re4  1  0.79  0.57  0.15  1.0
  Re  Re5  1  0.5  0.47  0.58  1.0
  Re  Re6  1  0.29  0.1  0.58  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Re6Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   118.23
_cell_angle_beta   97.7
_cell_angle_gamma   97.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re6Os
_chemical_formula_sum   'Re6 Os1'
_cell_volume   106.03
_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  0.15  0.44  0.24  1.0
  Re  Re1  1  0.15  0.65  0.62  1.0
  Re  Re2  1  0.15  0.35  0.58  1.0
  Re  Re3  1  0.58  0.07  0.1  1.0
  Re  Re4  1  0.58  0.28  0.48  1.0
  Re  Re5  1  0.58  0.37  0.15  1.0
  Os  Os6  1  0.0  0.0  0.0  1.0

Re Re Re Re Re Re Os