data_[Ti20Sb8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.5010]
_cell_length_b [10.5010]
_cell_length_c [5.2368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ti5Sb2Rh]
_chemical_formula_sum '[Ti20 Sb8 Rh4]'
_cell_volume [577.4676]
_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  16  0.0735  0.2109  0.0000  1.0
  Ti  Ti1  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb2  8  0.1633  0.3367  0.5000  1.0
  Rh  Rh3  4  0.0000  0.0000  0.2500  1.0
]