data_[Li8Pr12Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5703]
_cell_length_b [10.9989]
_cell_length_c [15.1179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2(PrAu)3]
_chemical_formula_sum '[Li8 Pr12 Au12]'
_cell_volume [759.9583]
_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
[
  Li  Li0  8  0.0000  0.2222  0.0882  1.0
  Pr  Pr1  8  0.0000  0.0821  0.6057  1.0
  Pr  Pr2  4  0.0000  0.3600  0.7500  1.0
  Au  Au3  8  0.0000  0.3834  0.5485  1.0
  Au  Au4  4  0.0000  0.3493  0.2500  1.0
]