data_[Li2Al2Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0356]
_cell_length_b [5.0023]
_cell_length_c [6.4264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiAlZn3]
_chemical_formula_sum '[Li2 Al2 Zn6]'
_cell_volume [161.2597]
_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  2  0.3803  0.7500  0.6136  1.0
  Al  Al1  2  0.4022  0.2500  0.9021  1.0
  Zn  Zn2  4  0.1476  0.0002  0.1944  1.0
  Zn  Zn3  2  0.1228  0.2500  0.5445  1.0
]