data_[Ti22Pt8Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.4269]
_cell_length_b [18.4750]
_cell_length_c [2.9447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti11Pt4Rh9]
_chemical_formula_sum '[Ti22 Pt8 Rh18]'
_cell_volume [730.4670]
_cell_formula_units_Z [2]
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  8  0.2372  0.1764  0.0000  1
  Ti  Ti1  4  0.0000  0.1927  0.0000  1
  Ti  Ti2  4  0.0000  0.3782  0.0000  1
  Ti  Ti3  4  0.1968  0.0000  0.0000  1
  Ti  Ti4  2  0.0000  0.0000  0.0000  1
  Rh  Rh5  8  0.1084  0.1039  0.5000  1
  Rh  Rh6  8  0.1107  0.2757  0.5000  1
  Pt  Pt7  8  0.1708  0.4235  0.5000  1
  Rh  Rh8  2  0.0000  0.5000  0.5000  1
]