data_[Li4Pr6Au8]
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 [C2/m]
_cell_length_a [11.0180]
_cell_length_b [4.6315]
_cell_length_c [8.9490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pr3Au4]
_chemical_formula_sum '[Li4 Pr6 Au8]'
_cell_volume [417.8300]
_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
[
  Li  Li0  4  0.1620  0.5000  0.3308  1.0
  Pr  Pr1  4  0.1454  0.5000  0.6878  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0815  0.0000  0.3987  1.0
  Au  Au4  4  0.2154  0.5000  0.0710  1.0
]