data_[Li12Zn4Ga20]
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 [I4/mcm]
_cell_length_a [7.7284]
_cell_length_b [7.7284]
_cell_length_c [10.5330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Li3ZnGa5]
_chemical_formula_sum '[Li12 Zn4 Ga20]'
_cell_volume [629.1211]
_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  0.1056  0.3944  0.0000  1
  Li  Li1  4  0.0000  0.0000  0.2500  1
  Zn  Zn2  4  0.0000  0.5000  0.2500  1
  Ga  Ga3  16  0.2017  0.2983  0.3681  1
  Ga  Ga4  4  0.0000  0.0000  0.0000  1
]