data_[Li2Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6530]
_cell_length_b [6.6032]
_cell_length_c [9.6866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(GaAu3)2]
_chemical_formula_sum '[Li2 Ga4 Au12]'
_cell_volume [338.7398]
_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  0.5000  0.0000  0.5000  1.0
  Ga  Ga1  4  0.1851  0.1424  0.7365  1.0
  Au  Au2  4  0.0336  0.2190  0.4121  1.0
  Au  Au3  4  0.2423  0.6427  0.4562  1.0
  Au  Au4  4  0.4954  0.6689  0.2848  1.0
]