data_[Li16Zn2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5127]
_cell_length_b [4.6887]
_cell_length_c [5.4587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8ZnIn2]
_chemical_formula_sum '[Li16 Zn2 In4]'
_cell_volume [396.9768]
_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  0.0396  0.0000  0.7453  1
  Li  Li1  4  0.0929  0.5000  0.4443  1
  Li  Li2  4  0.1461  0.0000  0.1649  1
  Li  Li3  4  0.1745  0.5000  0.9001  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  In  In5  4  0.2208  0.0000  0.6486  1
]