data_Ir2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   9.44
_cell_angle_alpha   163.58
_cell_angle_beta   156.35
_cell_angle_gamma   28.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Os
_chemical_formula_sum   'Ir4 Os2'
_cell_volume   95.47
_cell_formula_units_Z   2
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
  Ir  Ir0  1  0.0  0.97  0.88  1.0
  Ir  Ir1  1  0.35  0.97  0.27  1.0
  Ir  Ir2  1  0.0  0.97  0.48  1.0
  Ir  Ir3  1  0.35  0.97  0.66  1.0
  Os  Os4  1  0.0  0.97  0.25  1.0
  Os  Os5  1  0.35  0.97  0.9  1.0

data_Ir2Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.7
_cell_length_b   3.87
_cell_length_c   9.44
_cell_angle_alpha   101.83
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ir2Os
_chemical_formula_sum   'Ir4 Os2'
_cell_volume   95.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Os  Os0  2  0.0  0.17  0.85  1.0
  Ir  Ir1  2  0.0  0.2  0.52  1.0
  Ir  Ir2  2  0.0  0.41  0.08  1.0

Ir Ir Ir Ir Os Os
Ir Ir Ir Ir Os Os 0 1 o o + 2 3 o o o 2 5 o o o 3 4 o o o 