data_[Ti4Ir4Os4]
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 [14.1808]
_cell_length_b [2.7905]
_cell_length_c [4.7220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiIrOs]
_chemical_formula_sum '[Ti4 Ir4 Os4]'
_cell_volume [178.2414]
_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  0.0848  0.0000  0.2725  1
  Ir  Ir1  4  0.0862  0.5000  0.7574  1
  Os  Os2  4  0.2495  0.5000  0.2424  1
]