data_[Li18As3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6855]
_cell_length_b [9.6855]
_cell_length_c [11.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6AsAu12]
_chemical_formula_sum '[Li18 As3 Au36]'
_cell_volume [965.2675]
_cell_formula_units_Z [3]
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  18  0.0225  0.5905  0.7042  1.0
  As  As1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0235  0.8361  0.8179  1.0
  Au  Au3  18  0.0603  0.2131  0.4096  1.0
]