data_[Li20Al4Ga4]
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 [9.6864]
_cell_length_b [5.3681]
_cell_length_c [9.3486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5AlGa]
_chemical_formula_sum '[Li20 Al4 Ga4]'
_cell_volume [481.9284]
_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  0.1423  0.4974  0.0255  1
  Li  Li1  8  0.2257  0.0061  0.2015  1
  Li  Li2  4  0.0000  0.2502  0.2500  1
  Al  Al3  4  0.0000  0.2684  0.7500  1
  Ga  Ga4  4  0.0000  0.0000  0.0000  1
]