data_[Ti4Ir24Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3975]
_cell_length_b [7.1585]
_cell_length_c [8.8684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti(Ir3Rh)2]
_chemical_formula_sum '[Ti4 Ir24 Rh8]'
_cell_volume [572.9559]
_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  0.0000  0.3929  0.7500  1
  Ir  Ir1  8  0.0661  0.0453  0.3952  1
  Ir  Ir2  8  0.1308  0.2722  0.0488  1
  Ir  Ir3  8  0.1506  0.3651  0.5272  1
  Rh  Rh4  8  0.2263  0.0507  0.7044  1
]