data_[Li6Al4Ga8]
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 [10.1461]
_cell_length_b [4.3283]
_cell_length_c [8.1127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(AlGa2)2]
_chemical_formula_sum '[Li6 Al4 Ga8]'
_cell_volume [316.7526]
_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  4  0.1390  0.5000  0.6792  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1743  0.5000  0.3483  1.0
  Ga  Ga3  4  0.0377  0.0000  0.3668  1.0
  Ga  Ga4  4  0.2412  0.0000  0.9121  1.0
]