data_[Li2Al4Ga16]
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/m]
_cell_length_a [11.0935]
_cell_length_b [8.2183]
_cell_length_c [4.7557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(AlGa4)2]
_chemical_formula_sum '[Li2 Al4 Ga16]'
_cell_volume [429.7404]
_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  0.0000  0.0000  1.0
  Al  Al1  4  0.1274  0.0000  0.5511  1.0
  Ga  Ga2  8  0.0757  0.2828  0.7983  1.0
  Ga  Ga3  4  0.1174  0.5000  0.3417  1.0
  Ga  Ga4  4  0.2433  0.0000  0.1040  1.0
]