data_[Li36Cd18Ga3]
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 [R-3]
_cell_length_a [10.2741]
_cell_length_b [10.2741]
_cell_length_c [11.9722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Cd6Ga]
_chemical_formula_sum '[Li36 Cd18 Ga3]'
_cell_volume [1094.4421]
_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  0.0376  0.1835  0.8158  1.0
  Li  Li1  18  0.0607  0.8472  0.4109  1.0
  Cd  Cd2  18  0.0210  0.4299  0.7065  1.0
  Ga  Ga3  3  0.0000  0.0000  0.0000  1.0
]