data_[Th8B6Rh24Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.8173]
_cell_length_b [8.8173]
_cell_length_c [8.8173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Th4B3Rh12Au]
_chemical_formula_sum '[Th8 B6 Rh24 Au2]'
_cell_volume [685.5046]
_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
[
  Th  Th0  8  0.2500  0.2500  0.2500  1
  B  B1  6  0.0000  0.0000  0.5000  1
  Rh  Rh2  12  0.0000  0.0000  0.2832  1
  Rh  Rh3  12  0.0000  0.2500  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]