data_[Li12La4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5020]
_cell_length_b [4.4057]
_cell_length_c [9.2526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3LaGa2]
_chemical_formula_sum '[Li12 La4 Ga8]'
_cell_volume [480.2993]
_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  0.0579  0.0000  0.4072  1.0
  Li  Li1  4  0.0829  0.5000  0.6825  1.0
  Li  Li2  4  0.2431  0.5000  0.5819  1.0
  La  La3  4  0.1193  0.0000  0.9988  1.0
  Ga  Ga4  4  0.0894  0.5000  0.2384  1.0
  Ga  Ga5  4  0.2115  0.0000  0.7389  1.0
]