data_[La2Al6Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7971]
_cell_length_b [7.7971]
_cell_length_c [4.2633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [La2(Al2Zn)3]
_chemical_formula_sum '[La2 Al6 Zn3]'
_cell_volume [224.4657]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.3333  0.6667  0.0000  1.0
  Al  Al1  3  0.0000  0.1941  0.0000  1.0
  Al  Al2  3  0.0000  0.6988  0.5000  1.0
  Zn  Zn3  3  0.0000  0.3705  0.5000  1.0
]