data_[Li16Al2Ga4]
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 [7.3049]
_cell_length_b [13.3227]
_cell_length_c [4.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8AlGa2]
_chemical_formula_sum '[Li16 Al2 Ga4]'
_cell_volume [367.3885]
_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  8  0.2211  0.1274  0.1869  1
  Li  Li1  4  0.0000  0.2073  0.5000  1
  Li  Li2  4  0.0748  0.5000  0.2936  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Ga  Ga4  4  0.0000  0.3158  0.0000  1
]