data_[Li18In3Ga36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9850]
_cell_length_b [9.9850]
_cell_length_c [11.8265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6InGa12]
_chemical_formula_sum '[Li18 In3 Ga36]'
_cell_volume [1021.1478]
_cell_formula_units_Z [3]
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  18  0.0193  0.5897  0.7064  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  18  0.0377  0.8467  0.8059  1.0
  Ga  Ga3  18  0.0549  0.1993  0.4107  1.0
]