data_[Li16In2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8529]
_cell_length_b [11.7923]
_cell_length_c [4.7437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8InAu2]
_chemical_formula_sum '[Li16 In2 Au4]'
_cell_volume [423.0313]
_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  0.1888  0.1245  0.0860  1.0
  Li  Li1  4  0.0000  0.2405  0.5000  1.0
  Li  Li2  4  0.1228  0.5000  0.3224  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.0000  0.3221  0.0000  1.0
]