data_[Li16Ag2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6398]
_cell_length_b [11.8649]
_cell_length_c [4.6659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8AgAu2]
_chemical_formula_sum '[Li16 Ag2 Au4]'
_cell_volume [401.9240]
_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  8  0.1916  0.1220  0.0937  1.0
  Li  Li1  4  0.0000  0.2291  0.5000  1.0
  Li  Li2  4  0.1248  0.5000  0.3148  1.0
  Ag  Ag3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.0000  0.3173  0.0000  1.0
]