data_Re3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   131.92
_cell_angle_beta   131.92
_cell_angle_gamma   70.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Os
_chemical_formula_sum   'Re3 Os1'
_cell_volume   59.44
_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  0.95  0.96  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.95  0.0  0.96  1.0
  Os  Os0  1  0.0  0.0  0.91  1.0

data_Re3Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   125.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re3Os
_chemical_formula_sum   'Re6 Os2'
_cell_volume   118.87
_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  4  0.03  0.03  0.01  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.91  1.0

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