data_[Li6Zn6]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1185]
_cell_length_b [13.1808]
_cell_length_c [4.4330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiZn]
_chemical_formula_sum '[Li6 Zn6]'
_cell_volume [182.2160]
_cell_formula_units_Z [6]
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  0.1636  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.3316  0.0000  1.0
  Zn  Zn3  2  0.0000  0.5000  0.5000  1.0
]