data_[Li8Al2Au14]
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 [10.1594]
_cell_length_b [4.9470]
_cell_length_c [9.6278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4AlAu7]
_chemical_formula_sum '[Li8 Al2 Au14]'
_cell_volume [438.8381]
_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  0.1047  0.5000  0.7737  1
  Li  Li1  4  0.1720  0.0000  0.6243  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0772  0.0000  0.3002  1
  Au  Au4  4  0.1348  0.5000  0.4988  1
  Au  Au5  4  0.2091  0.0000  0.9140  1
  Au  Au6  2  0.0000  0.5000  0.0000  1
]