data_[Li20Er16Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0708]
_cell_length_b [21.3285]
_cell_length_c [14.5154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li5(Er2Au3)2]
_chemical_formula_sum '[Li20 Er16 Au24]'
_cell_volume [1260.3000]
_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  0.1780  0.6272  1
  Li  Li1  4  0.0000  0.3120  0.6141  1
  Li  Li2  4  0.0000  0.3226  0.2662  1
  Li  Li3  4  0.0000  0.3474  0.9839  1
  Li  Li4  4  0.0000  0.4516  0.6686  1
  Er  Er5  4  0.0000  0.0223  0.5133  1
  Er  Er6  4  0.0000  0.0428  0.7806  1
  Er  Er7  4  0.0000  0.1412  0.2949  1
  Er  Er8  4  0.0000  0.1773  0.9412  1
  Au  Au9  4  0.0000  0.1021  0.1034  1
  Au  Au10  4  0.0000  0.2272  0.4551  1
  Au  Au11  4  0.0000  0.2583  0.7794  1
  Au  Au12  4  0.0000  0.4188  0.1387  1
  Au  Au13  4  0.0000  0.4214  0.4266  1
  Au  Au14  4  0.0000  0.4485  0.8623  1
]