data_IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.47
_cell_angle_alpha   103.43
_cell_angle_beta   103.43
_cell_angle_gamma   30.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOs
_chemical_formula_sum   'Ir3 Os3'
_cell_volume   86.55
_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  0.48  0.0  0.72  1.0
  Ir  Ir1  1  0.13  0.0  0.08  1.0
  Ir  Ir2  1  0.31  0.0  0.21  1.0
  Os  Os3  1  0.46  0.0  0.27  1.0
  Os  Os4  1  0.61  0.0  0.86  1.0
  Os  Os5  1  0.74  0.0  0.92  1.0

data_IrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.19
_cell_length_c   6.47
_cell_angle_alpha   103.43
_cell_angle_beta   90.0
_cell_angle_gamma   105.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOs
_chemical_formula_sum   'Ir3 Os3'
_cell_volume   86.55
_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
  Os  Os0  1  0.0  0.26  0.08  1.0
  Os  Os1  1  0.0  0.39  0.14  1.0
  Ir  Ir2  1  0.0  0.52  0.28  1.0
  Os  Os3  1  0.0  0.54  0.73  1.0
  Ir  Ir4  1  0.0  0.69  0.79  1.0
  Ir  Ir5  1  0.0  0.87  0.92  1.0

Ir Ir Ir Os Os Os