data_[Ce12Ag4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7159]
_cell_length_b [4.0155]
_cell_length_c [11.8575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce3AgAu]
_chemical_formula_sum '[Ce12 Ag4 Au4]'
_cell_volume [510.2311]
_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  0.1045  0.7500  0.1268  1
  Ce  Ce1  4  0.1332  0.2500  0.6139  1
  Ce  Ce2  4  0.1518  0.7500  0.7702  1
  Ag  Ag3  4  0.0934  0.2500  0.3587  1
  Au  Au4  4  0.2167  0.2500  0.9551  1
]