data_[Ce16Sn8Au24]
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 [Fmmm]
_cell_length_a [6.8585]
_cell_length_b [9.7118]
_cell_length_c [16.8367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2SnAu3]
_chemical_formula_sum '[Ce16 Sn8 Au24]'
_cell_volume [1121.4618]
_cell_formula_units_Z [8]
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  8  0.2291  0.0000  0.0000  1
  Ce  Ce1  8  0.2500  0.2500  0.2500  1
  Sn  Sn2  8  0.0000  0.0000  0.3347  1
  Au  Au3  16  0.0000  0.2477  0.4169  1
  Au  Au4  8  0.0000  0.0000  0.1672  1
]