data_[Li18In36Ge3]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.5518]
_cell_length_b [10.5518]
_cell_length_c [13.5185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6In12Ge]
_chemical_formula_sum '[Li18 In36 Ge3]'
_cell_volume [1303.5086]
_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  0.0367  0.4381  0.7011  1.0
  In  In1  18  0.0236  0.1901  0.8184  1.0
  In  In2  18  0.0451  0.8426  0.4077  1.0
  Ge  Ge3  3  0.0000  0.0000  0.0000  1.0
]