data_IrOs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   11.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOs5
_chemical_formula_sum   'Ir1 Os5'
_cell_volume   86.24
_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
  Ir  Ir0  1  0.36  0.36  0.81  1.0
  Os  Os1  1  0.0  0.0  0.85  1.0
  Os  Os2  1  0.0  0.0  0.77  1.0
  Os  Os3  1  0.36  0.36  0.95  1.0
  Os  Os4  1  0.36  0.36  0.68  1.0
  Os  Os5  1  0.0  0.0  0.0  1.0

data_IrOs5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   11.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   IrOs5
_chemical_formula_sum   'Ir2 Os10'
_cell_volume   172.48
_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
  Os  Os0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.0  0.0  0.77  1.0
  Os  Os2  2  0.0  0.0  0.85  1.0
  Os  Os3  2  0.36  0.0  0.68  1.0
  Ir  Ir4  2  0.36  0.0  0.81  1.0
  Os  Os5  2  0.36  0.0  0.95  1.0

Ir Os Os Os Os Os