data_[La6Al16Zn6]
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 [Immm]
_cell_length_a [4.4231]
_cell_length_b [10.2836]
_cell_length_c [12.8499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Al8Zn3]
_chemical_formula_sum '[La6 Al16 Zn6]'
_cell_volume [584.4836]
_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  4  0.0000  0.0000  0.1831  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  8  0.0000  0.2773  0.3694  1.0
  Al  Al3  8  0.0000  0.3681  0.1648  1.0
  Zn  Zn4  4  0.0000  0.2217  0.0000  1.0
  Zn  Zn5  2  0.0000  0.5000  0.5000  1.0
]