data_[Ir4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9663]
_cell_length_b [2.7549]
_cell_length_c [6.4801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [IrOs2]
_chemical_formula_sum '[Ir4 Os8]'
_cell_volume [172.7764]
_cell_formula_units_Z [4]
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  2  0.0539  0.0000  0.6114  1.0
  Ir  Ir1  2  0.1680  0.5000  0.3374  1.0
  Os  Os2  2  0.2233  0.5000  0.9427  1.0
  Os  Os3  2  0.3333  0.0000  0.6663  1.0
  Os  Os4  2  0.3888  0.0000  0.2777  1.0
  Ir  Ir5  2  0.4993  0.5000  0.9978  1.0
]