data_[Ce12Pt4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6139]
_cell_length_b [13.7617]
_cell_length_c [7.2577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce6Pt2Au]
_chemical_formula_sum '[Ce12 Pt4 Au2]'
_cell_volume [460.8267]
_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  0.0000  0.0996  0.8418  1
  Ce  Ce1  4  0.5000  0.2151  0.1898  1
  Ce  Ce2  2  0.0000  0.0000  0.3391  1
  Ce  Ce3  2  0.5000  0.0000  0.5880  1
  Pt  Pt4  4  0.0000  0.1963  0.4694  1
  Au  Au5  2  0.5000  0.0000  0.0709  1
]