data_[Li12Al4Ga12]
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 [Pnma]
_cell_length_a [12.7583]
_cell_length_b [4.3716]
_cell_length_c [8.3635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li3AlGa3]
_chemical_formula_sum '[Li12 Al4 Ga12]'
_cell_volume [466.4741]
_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  4  0.0594  0.7500  0.5049  1
  Li  Li1  4  0.1772  0.7500  0.2234  1
  Li  Li2  4  0.1828  0.7500  0.7787  1
  Al  Al3  4  0.0551  0.2500  0.7768  1
  Ga  Ga4  4  0.0587  0.2500  0.2294  1
  Ga  Ga5  4  0.1723  0.2500  0.5053  1
  Ga  Ga6  4  0.2000  0.2500  0.0011  1
]