data_[Li12Ce4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0313]
_cell_length_b [4.4656]
_cell_length_c [9.0811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3CeGa2]
_chemical_formula_sum '[Li12 Ce4 Ga8]'
_cell_volume [455.8303]
_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  0.0558  0.0000  0.4050  1.0
  Li  Li1  4  0.0851  0.5000  0.6960  1.0
  Li  Li2  4  0.2377  0.5000  0.5816  1.0
  Ce  Ce3  4  0.1092  0.0000  0.0027  1.0
  Ga  Ga4  4  0.0856  0.5000  0.2263  1.0
  Ga  Ga5  4  0.2106  0.0000  0.7543  1.0
]