data_[Th8Ge4Rh20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3152]
_cell_length_b [5.8897]
_cell_length_c [12.3895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th2GeRh5]
_chemical_formula_sum '[Th8 Ge4 Rh20]'
_cell_volume [606.7682]
_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
[
  Th  Th0  4  0.0720  0.7500  0.7961  1
  Th  Th1  4  0.2022  0.2500  0.5874  1
  Ge  Ge2  4  0.1993  0.2500  0.8891  1
  Rh  Rh3  8  0.0812  0.0187  0.3951  1
  Rh  Rh4  4  0.0000  0.0000  0.0000  1
  Rh  Rh5  4  0.0407  0.7500  0.2145  1
  Rh  Rh6  4  0.2164  0.7500  0.5855  1
]