data_[Ce4Pr2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7328]
_cell_length_b [7.7953]
_cell_length_c [14.8757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce2PrAu6]
_chemical_formula_sum '[Ce4 Pr2 Au12]'
_cell_volume [432.8547]
_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  0.5000  0.3587  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  8  0.0000  0.3146  0.8234  1.0
  Au  Au3  4  0.0000  0.1818  0.0000  1.0
]