data_[Li8Al12Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5309]
_cell_length_b [9.5966]
_cell_length_c [5.0392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Al3Ga4]
_chemical_formula_sum '[Li8 Al12 Ga16]'
_cell_volume [640.1505]
_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  8  0.2373  0.4036  0.0931  1.0
  Al  Al1  8  0.0918  0.0611  0.4679  1.0
  Al  Al2  4  0.0000  0.4985  0.2500  1.0
  Ga  Ga3  8  0.0692  0.2415  0.0097  1.0
  Ga  Ga4  8  0.1552  0.3259  0.5577  1.0
]