data_[Ce16Sn4Au4]
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/c]
_cell_length_a [8.9542]
_cell_length_b [13.0133]
_cell_length_c [5.7598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4SnAu]
_chemical_formula_sum '[Ce16 Sn4 Au4]'
_cell_volume [620.9291]
_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  8  0.1224  0.1939  0.1599  1.0
  Ce  Ce1  8  0.2071  0.3939  0.3671  1.0
  Sn  Sn2  4  0.0000  0.3828  0.7500  1.0
  Au  Au3  4  0.0000  0.0291  0.7500  1.0
]