data_Re5Os4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   95.73
_cell_angle_beta   95.73
_cell_angle_gamma   143.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Os4
_chemical_formula_sum   'Re5 Os4'
_cell_volume   132.36
_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  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.74  0.74  0.0  1.0
  Re  Re6  1  0.62  0.38  0.94  1.0
  Re  Re7  1  0.38  0.62  0.94  1.0
  Re  Re8  1  0.38  0.38  0.94  1.0
  Os  Os0  1  0.0  0.76  0.0  1.0
  Os  Os1  1  0.0  0.5  0.0  1.0
  Os  Os2  1  0.76  0.0  0.0  1.0
  Os  Os3  1  0.5  0.0  0.0  1.0

data_Re5Os4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   11.67
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re5Os4
_chemical_formula_sum   'Re10 Os8'
_cell_volume   264.73
_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  0.44  0.12  0.94  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.06  0.5  0.94  1.0
  Re  Re3  2  0.26  0.0  -0.0  1.0
  Os  Os4  4  0.12  0.12  0.0  1.0
  Os  Os5  4  0.25  0.25  -0.0  1.0

Re Re Re Re Re Os Os Os Os
Re Re Re Re Re Os Os Os Os 0 1 - - o 0 4 o o - 0 5 o - o 0 7 - o o 1 2 o o - 1 3 o o - 1 4 o o - 1 5 + o o 1 7 o + o 2 4 o o o 2 5 + o + 2 6 + o + 2 8 o o + 3 4 o o o 3 7 o + + 3 6 o o + 3 8 o + + 5 6 o o o 5 8 o + o 6 8 - o o 6 8 o + o 6 7 - o o 7 8 o o o 