data_Re4Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.92
_cell_angle_alpha   99.63
_cell_angle_beta   99.63
_cell_angle_gamma   49.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4Os3
_chemical_formula_sum   'Re4 Os3'
_cell_volume   106.45
_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  0.27  0.0  0.51  1.0
  Re  Re4  1  0.86  0.0  0.5  1.0
  Re  Re5  1  0.04  0.0  0.34  1.0
  Re  Re6  1  0.64  0.0  0.32  1.0
  Os  Os0  1  0.1  0.0  0.65  1.0
  Os  Os1  1  0.8  0.0  0.18  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_Re4Os3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.92
_cell_length_c   5.39
_cell_angle_alpha   99.63
_cell_angle_beta   114.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4Os3
_chemical_formula_sum   'Re4 Os3'
_cell_volume   106.45
_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  0.32  0.64  1.0
  Re  Re1  1  0.0  0.34  0.04  1.0
  Re  Re2  1  0.0  0.5  0.86  1.0
  Re  Re3  1  0.0  0.51  0.27  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.0  0.18  0.8  1.0
  Os  Os6  1  0.0  0.65  0.1  1.0

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