data_[Li10Al4Ga8]
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 [Pbam]
_cell_length_a [6.5388]
_cell_length_b [13.5106]
_cell_length_c [4.3396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Li5(AlGa2)2]
_chemical_formula_sum '[Li10 Al4 Ga8]'
_cell_volume [383.3799]
_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  0.1138  0.5801  0.0000  1
  Li  Li1  4  0.2255  0.8036  0.0000  1
  Li  Li2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.0322  0.6962  0.5000  1
  Ga  Ga4  4  0.0986  0.1269  0.5000  1
  Ga  Ga5  4  0.2225  0.4510  0.5000  1
]