data_[Li2Tb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2086]
_cell_length_b [15.6779]
_cell_length_c [5.1960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(TbAu3)2]
_chemical_formula_sum '[Li2 Tb4 Au12]'
_cell_volume [368.1078]
_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  2  0.0000  0.5000  0.0000  1
  Tb  Tb1  4  0.0000  0.1626  0.5000  1
  Au  Au2  8  0.1617  0.3365  0.8322  1
  Au  Au3  4  0.1582  0.0000  0.3222  1
]