data_[Ce4Sn2Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1189]
_cell_length_b [9.3411]
_cell_length_c [13.2409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2SnAu10]
_chemical_formula_sum '[Ce4 Sn2 Au20]'
_cell_volume [585.9003]
_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  0.3128  0.0332  0.6951  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.0924  0.6803  0.6863  1
  Au  Au3  4  0.1105  0.1241  0.2063  1
  Au  Au4  4  0.1600  0.6965  0.9983  1
  Au  Au5  4  0.2800  0.0897  0.4372  1
  Au  Au6  4  0.4982  0.6844  0.3942  1
]