data_[Li36Cd18In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.4137]
_cell_length_b [10.4137]
_cell_length_c [12.1341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Cd6In]
_chemical_formula_sum '[Li36 Cd18 In3]'
_cell_volume [1139.5950]
_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  0.0340  0.8480  0.8129  1.0
  Li  Li1  18  0.0606  0.2147  0.4126  1.0
  Cd  Cd2  18  0.0147  0.5884  0.7042  1.0
  In  In3  3  0.0000  0.0000  0.0000  1.0
]