data_[Li16Zn2Ga4]
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 [C2/m]
_cell_length_a [14.7769]
_cell_length_b [4.0268]
_cell_length_c [6.1075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8ZnGa2]
_chemical_formula_sum '[Li16 Zn2 Ga4]'
_cell_volume [357.3415]
_cell_formula_units_Z [2]
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  4  0.0491  0.0000  0.7396  1.0
  Li  Li1  4  0.0957  0.5000  0.4539  1.0
  Li  Li2  4  0.1371  0.0000  0.1933  1.0
  Li  Li3  4  0.1836  0.5000  0.9081  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.2271  0.0000  0.6289  1.0
]