data_[Ce4Th2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0033]
_cell_length_b [15.2257]
_cell_length_c [5.2159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2ThAu8]
_chemical_formula_sum '[Ce4 Th2 Au16]'
_cell_volume [492.7059]
_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
[
  Ce  Ce0  4  0.0000  0.3147  0.0000  1
  Th  Th1  2  0.0000  0.0000  0.5000  1
  Au  Au2  8  0.2233  0.1303  0.2537  1
  Au  Au3  4  0.0000  0.2021  0.5000  1
  Au  Au4  4  0.0390  0.5000  0.7891  1
]