data_Re4Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4Os3
_chemical_formula_sum   'Re4 Os3'
_cell_volume   106.48
_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  Re3  1  0.0  0.0  0.66  1.0
  Re  Re4  1  0.0  0.0  0.18  1.0
  Re  Re5  1  0.0  0.91  0.0  1.0
  Re  Re6  1  0.52  0.46  0.0  1.0
  Os  Os0  1  0.52  0.0  0.42  1.0
  Os  Os1  1  0.74  0.18  0.42  1.0
  Os  Os2  1  0.26  0.18  0.42  1.0

data_Re4Os3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4Os3
_chemical_formula_sum   'Re4 Os3'
_cell_volume   106.48
_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  0.0  0.0  0.91  1.0
  Re  Re1  1  0.0  0.52  0.46  1.0
  Re  Re2  1  0.18  0.0  0.0  1.0
  Re  Re3  1  0.66  0.0  0.0  1.0
  Os  Os4  1  0.42  0.26  0.18  1.0
  Os  Os5  1  0.42  0.52  0.0  1.0
  Os  Os6  1  0.42  0.74  0.18  1.0

Re Re Re Re Os Os Os
Re Re Re Re Os Os Os 0 2 o - + 0 6 o o o 0 3 o o + 1 2 o - o 1 3 o o o 1 3 - - o 1 6 o o o 2 3 o + o 2 3 - o o 3 6 o o o 3 5 o o o 3 4 o o o 4 5 o o o 4 6 o o o 