data_[Ti2Al16Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9296]
_cell_length_b [7.5592]
_cell_length_c [11.5447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti(Al4Rh)2]
_chemical_formula_sum '[Ti2 Al16 Rh4]'
_cell_volume [342.9331]
_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  2  0.0000  0.5000  0.5000  1
  Al  Al1  8  0.0000  0.2244  0.3410  1
  Al  Al2  4  0.0000  0.0000  0.1563  1
  Al  Al3  4  0.0000  0.3074  0.0000  1
  Rh  Rh4  4  0.0000  0.5000  0.2001  1
]