data_[Li2Al4Ga12]
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 [P2_1/c]
_cell_length_a [6.2524]
_cell_length_b [6.3230]
_cell_length_c [9.9971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(AlGa3)2]
_chemical_formula_sum '[Li2 Al4 Ga12]'
_cell_volume [344.0728]
_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
  Al  Al1  4  0.0921  0.1015  0.6416  1.0
  Ga  Ga2  4  0.0692  0.6750  0.6440  1.0
  Ga  Ga3  4  0.2818  0.6097  0.4382  1.0
  Ga  Ga4  4  0.4512  0.1233  0.2128  1.0
]