data_[La8Zn4Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1468]
_cell_length_b [5.6544]
_cell_length_c [8.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2ZnIr2]
_chemical_formula_sum '[La8 Zn4 Ir8]'
_cell_volume [451.1413]
_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  0.1460  0.3490  0.1478  1.0
  Zn  Zn1  4  0.0000  0.1261  0.7500  1.0
  Ir  Ir2  8  0.1355  0.1496  0.5209  1.0
]