data_[Li12Zn20Ga8]
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 [Ibam]
_cell_length_a [9.8202]
_cell_length_b [13.6076]
_cell_length_c [4.9659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li3Zn5Ga2]
_chemical_formula_sum '[Li12 Zn20 Ga8]'
_cell_volume [663.5894]
_cell_formula_units_Z [4]
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  8  0.2253  0.3310  0.0000  1.0
  Li  Li1  4  0.0000  0.0000  0.2500  1.0
  Zn  Zn2  8  0.0000  0.1812  0.2500  1.0
  Zn  Zn3  8  0.0677  0.3375  0.5000  1.0
  Zn  Zn4  4  0.0000  0.5000  0.2500  1.0
  Ga  Ga5  8  0.2186  0.0607  0.0000  1.0
]