data_[Li4Cd6Ga18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4713]
_cell_length_b [9.0668]
_cell_length_c [13.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(CdGa3)3]
_chemical_formula_sum '[Li4 Cd6 Ga18]'
_cell_volume [552.4107]
_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  0.0000  0.2314  0.5000  1
  Cd  Cd1  4  0.0000  0.0000  0.3335  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  8  0.0000  0.2631  0.1206  1
  Ga  Ga4  8  0.0000  0.3558  0.3095  1
  Ga  Ga5  2  0.0000  0.5000  0.0000  1
]