data_[Li2Al6Zn12]
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 [10.7621]
_cell_length_b [2.8145]
_cell_length_c [11.7403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(AlZn2)3]
_chemical_formula_sum '[Li2 Al6 Zn12]'
_cell_volume [332.2266]
_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  0.2835  0.7500  0.9700  1.0
  Al  Al1  2  0.1216  0.2500  0.0872  1.0
  Al  Al2  2  0.1722  0.7500  0.5346  1.0
  Al  Al3  2  0.4112  0.2500  0.6373  1.0
  Zn  Zn4  2  0.0143  0.2500  0.3473  1.0
  Zn  Zn5  2  0.0521  0.2500  0.8515  1.0
  Zn  Zn6  2  0.2374  0.2500  0.7533  1.0
  Zn  Zn7  2  0.3424  0.7500  0.2084  1.0
  Zn  Zn8  2  0.3734  0.7500  0.4339  1.0
  Zn  Zn9  2  0.4786  0.7500  0.8749  1.0
]