data_[Ti22Zn18Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [12.8939]
_cell_length_b [19.4323]
_cell_length_c [3.0092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti11Zn9Rh4]
_chemical_formula_sum '[Ti22 Zn18 Rh8]'
_cell_volume [753.9735]
_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  0.2340  0.1754  0.0000  1
  Ti  Ti1  4  0.0000  0.1588  0.0000  1
  Ti  Ti2  4  0.0000  0.3622  0.0000  1
  Ti  Ti3  4  0.2105  0.5000  0.0000  1
  Ti  Ti4  2  0.0000  0.0000  0.0000  1
  Zn  Zn5  8  0.1043  0.2601  0.5000  1
  Zn  Zn6  8  0.1375  0.0730  0.5000  1
  Zn  Zn7  2  0.0000  0.5000  0.5000  1
  Rh  Rh8  8  0.1545  0.3983  0.5000  1
]