data_[Li36Zn18Ga3]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5582]
_cell_length_b [9.5582]
_cell_length_c [11.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Zn6Ga]
_chemical_formula_sum '[Li36 Zn18 Ga3]'
_cell_volume [944.2046]
_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  0.0341  0.1891  0.8120  1
  Li  Li1  18  0.0628  0.8446  0.4134  1
  Zn  Zn2  18  0.0278  0.4387  0.7000  1
  Ga  Ga3  3  0.0000  0.0000  0.0000  1
]