data_[Th16Pd12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5410]
_cell_length_b [9.5410]
_cell_length_c [9.5410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Th4(PdRh)3]
_chemical_formula_sum '[Th16 Pd12 Rh12]'
_cell_volume [868.5255]
_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  16  0.1131  0.1131  0.1131  1
  Pd  Pd1  12  0.0000  0.2500  0.3750  1
  Rh  Rh2  12  0.0000  0.2500  0.8750  1
]