data_[Ti8Ir4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [14.0654]
_cell_length_b [4.2237]
_cell_length_c [5.3701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2IrOs2]
_chemical_formula_sum '[Ti8 Ir4 Os8]'
_cell_volume [297.2757]
_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
[
  Ti  Ti0  4  0.0858  0.5000  0.3329  1.0
  Ti  Ti1  4  0.1996  0.0000  0.7706  1.0
  Ir  Ir2  4  0.1133  0.5000  0.8706  1.0
  Os  Os3  4  0.2007  0.0000  0.2889  1.0
  Os  Os4  2  0.0000  0.0000  0.0000  1.0
  Os  Os5  2  0.0000  0.0000  0.5000  1.0
]