data_[Li4In12Au24]
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 [Cmc2_1]
_cell_length_a [9.7443]
_cell_length_b [10.6377]
_cell_length_c [8.0585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(InAu2)3]
_chemical_formula_sum '[Li4 In12 Au24]'
_cell_volume [835.3214]
_cell_formula_units_Z [4]
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  0.0000  0.2328  0.5767  1.0
  In  In1  8  0.1669  0.1276  0.9336  1.0
  In  In2  4  0.0000  0.4692  0.8766  1.0
  Au  Au3  8  0.2290  0.4110  0.0976  1.0
  Au  Au4  8  0.2355  0.3404  0.7574  1.0
  Au  Au5  4  0.0000  0.0122  0.2088  1.0
  Au  Au6  4  0.0000  0.2857  0.2459  1.0
]