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 [P2_1/m]
_cell_length_a [7.7223]
_cell_length_b [2.7334]
_cell_length_c [8.2046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [IrOs2]
_chemical_formula_sum '[Ir4 Os8]'
_cell_volume [173.1830]
_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  0.1260  0.2500  0.9170  1.0
  Ir  Ir1  2  0.1273  0.2500  0.2478  1.0
  Ir  Ir2  2  0.1297  0.2500  0.5849  1.0
  Os  Os3  2  0.3748  0.7500  0.0814  1.0
  Os  Os4  2  0.3756  0.7500  0.7511  1.0
  Os  Os5  2  0.3765  0.7500  0.4175  1.0
]