data_[Si16Rh40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [9.4160]
_cell_length_b [9.4160]
_cell_length_c [8.8259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [Si2Rh5]
_chemical_formula_sum '[Si16 Rh40]'
_cell_volume [782.5147]
_cell_formula_units_Z [8]
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
[
  Si  Si0  8  0.0005  0.2470  0.7078  1
  Si  Si1  8  0.1092  0.7050  0.6327  1
  Rh  Rh2  8  0.0281  0.3837  0.9370  1
  Rh  Rh3  8  0.0584  0.6716  0.8916  1
  Rh  Rh4  8  0.0738  0.8880  0.4360  1
  Rh  Rh5  8  0.1727  0.2211  0.1693  1
  Rh  Rh6  4  0.0675  0.9325  0.7500  1
  Rh  Rh7  4  0.1613  0.1613  0.5000  1
]