data_Ir2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   7.46
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Os
_chemical_formula_sum   'Ir6 Os3'
_cell_volume   131.94
_cell_formula_units_Z   3
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  0.89  0.93  0.37  1.0
  Ir  Ir1  1  0.64  0.09  0.0  1.0
  Ir  Ir2  1  0.23  0.0  0.37  1.0
  Ir  Ir3  1  0.62  0.53  0.37  1.0
  Ir  Ir4  1  0.73  0.0  0.0  1.0
  Ir  Ir5  1  0.37  0.37  0.0  1.0
  Os  Os6  1  0.0  0.0  0.0  1.0
  Os  Os7  1  0.0  0.31  0.37  1.0
  Os  Os8  1  0.73  0.15  0.37  1.0

data_Ir2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   7.46
_cell_length_c   7.46
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Os
_chemical_formula_sum   'Ir6 Os3'
_cell_volume   131.94
_cell_formula_units_Z   3
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  0.37  0.37  1.0
  Ir  Ir1  1  -0.0  0.64  0.09  1.0
  Ir  Ir2  1  -0.0  0.73  0.0  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0
  Os  Os4  1  0.37  0.0  0.31  1.0
  Ir  Ir5  1  0.37  0.23  0.0  1.0
  Ir  Ir6  1  0.37  0.62  0.53  1.0
  Os  Os7  1  0.37  0.73  0.15  1.0
  Ir  Ir8  1  0.37  0.89  0.93  1.0

Ir Ir Ir Ir Ir Ir Os Os Os