data_[Li16Zn4In4]
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 [12.4409]
_cell_length_b [7.2043]
_cell_length_c [4.9245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4ZnIn]
_chemical_formula_sum '[Li16 Zn4 In4]'
_cell_volume [430.0543]
_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  0.1299  0.1902  0.5932  1.0
  Li  Li1  4  0.0000  0.1859  0.0000  1.0
  Li  Li2  4  0.1610  0.5000  0.2768  1.0
  Zn  Zn3  4  0.0472  0.5000  0.7555  1.0
  In  In4  4  0.2149  0.0000  0.1397  1.0
]