data_[La2Al22Zn2]
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 [C2/m]
_cell_length_a [5.4031]
_cell_length_b [13.0683]
_cell_length_c [7.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaAl11Zn]
_chemical_formula_sum '[La2 Al22 Zn2]'
_cell_volume [468.6957]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.1086  0.6102  0.2240  1
  Al  Al2  8  0.1661  0.1795  0.3553  1
  Al  Al3  4  0.2500  0.2500  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Zn  Zn5  2  0.0000  0.5000  0.5000  1
]