data_[La12Zn88]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.9340]
_cell_length_b [8.9340]
_cell_length_c [21.3268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [La3Zn22]
_chemical_formula_sum '[La12 Zn88]'
_cell_volume [1702.2448]
_cell_formula_units_Z [4]
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  8  0.0000  0.0000  0.1214  1
  La  La1  4  0.0000  0.0000  0.5000  1
  Zn  Zn2  32  0.2317  0.2426  0.8139  1
  Zn  Zn3  16  0.0000  0.1467  0.7414  1
  Zn  Zn4  16  0.0000  0.1510  0.3616  1
  Zn  Zn5  16  0.0000  0.2250  0.0019  1
  Zn  Zn6  8  0.0000  0.2500  0.6250  1
]