data_[Ce4Ge8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6838]
_cell_length_b [4.5294]
_cell_length_c [7.3620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeGe2Au3]
_chemical_formula_sum '[Ce4 Ge8 Au12]'
_cell_volume [501.7949]
_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
[
  Ce  Ce0  4  0.1398  0.0000  0.2098  1.0
  Ge  Ge1  4  0.0092  0.5000  0.8367  1.0
  Ge  Ge2  4  0.2108  0.0000  0.6739  1.0
  Au  Au3  4  0.0565  0.0000  0.7209  1.0
  Au  Au4  4  0.1300  0.5000  0.5137  1.0
  Au  Au5  4  0.1856  0.5000  0.9492  1.0
]