data_[Li4Th4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4008]
_cell_length_b [14.9212]
_cell_length_c [7.5362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiThAu4]
_chemical_formula_sum '[Li4 Th4 Au16]'
_cell_volume [494.8652]
_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  0.1317  0.7500  1
  Th  Th1  4  0.0000  0.1740  0.2500  1
  Au  Au2  8  0.0000  0.3497  0.0421  1
  Au  Au3  4  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0000  0.4823  0.7500  1
]