data_[Li2Al8Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5760]
_cell_length_b [4.5804]
_cell_length_c [9.5925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiAl4Au7]
_chemical_formula_sum '[Li2 Al8 Au14]'
_cell_volume [432.9397]
_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  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  4  0.0810  0.5000  0.7937  1.0
  Al  Al2  4  0.2034  0.5000  0.3449  1.0
  Au  Au3  4  0.0664  0.0000  0.3286  1.0
  Au  Au4  4  0.1523  0.5000  0.5875  1.0
  Au  Au5  4  0.2202  0.0000  0.8587  1.0
  Au  Au6  2  0.0000  0.5000  0.0000  1.0
]