data_[Li18Zn3In36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6741]
_cell_length_b [10.6741]
_cell_length_c [13.0921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6ZnIn12]
_chemical_formula_sum '[Li18 Zn3 In36]'
_cell_volume [1291.8362]
_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  0.0322  0.5972  0.7040  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  In  In2  18  0.0273  0.8393  0.8225  1.0
  In  In3  18  0.0489  0.2040  0.4072  1.0
]