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 [C2/m]
_cell_length_a [9.9527]
_cell_length_b [2.7568]
_cell_length_c [6.4792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrOs2]
_chemical_formula_sum '[Ir4 Os8]'
_cell_volume [172.7600]
_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
[
  Ir  Ir0  4  0.0269  0.0000  0.8040  1.0
  Os  Os1  4  0.1415  0.5000  0.5305  1.0
  Os  Os2  4  0.1965  0.5000  0.1411  1.0
]