data_[Li12Zn4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9295]
_cell_length_b [4.8044]
_cell_length_c [5.7527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3ZnSn]
_chemical_formula_sum '[Li12 Zn4 Sn4]'
_cell_volume [357.0999]
_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  4  0.1131  0.5000  0.4697  1.0
  Li  Li1  4  0.1155  0.5000  0.9788  1.0
  Li  Li2  4  0.1883  0.0000  0.7497  1.0
  Zn  Zn3  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn4  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn5  4  0.1830  0.0000  0.2497  1.0
]