data_[Ce4Sn4Au16]
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 [C2/m]
_cell_length_a [10.4959]
_cell_length_b [7.9463]
_cell_length_c [6.8366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSnAu4]
_chemical_formula_sum '[Ce4 Sn4 Au16]'
_cell_volume [548.7287]
_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  0.1589  0.0000  0.7586  1
  Sn  Sn1  4  0.1028  0.5000  0.8043  1
  Au  Au2  8  0.1208  0.3162  0.4328  1
  Au  Au3  4  0.0000  0.2383  0.0000  1
  Au  Au4  4  0.1471  0.0000  0.2748  1
]