data_[Li12Zn2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3140]
_cell_length_b [6.4815]
_cell_length_c [8.6359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6ZnSi]
_chemical_formula_sum '[Li12 Zn2 Si2]'
_cell_volume [241.4734]
_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  0.0000  0.2445  0.1264  1.0
  Li  Li1  4  0.5000  0.2450  0.3708  1.0
  Li  Li2  2  0.0000  0.0000  0.4150  1.0
  Li  Li3  2  0.5000  0.0000  0.1038  1.0
  Zn  Zn4  2  0.0000  0.0000  0.8553  1.0
  Si  Si5  2  0.5000  0.0000  0.6319  1.0
]