data_[La12Zn4Ir2]
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 [P2_1/c]
_cell_length_a [6.2231]
_cell_length_b [8.5861]
_cell_length_c [11.8086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Zn2Ir]
_chemical_formula_sum '[La12 Zn4 Ir2]'
_cell_volume [555.3504]
_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  0.1426  0.5222  0.7440  1.0
  La  La1  4  0.1502  0.1715  0.5551  1.0
  La  La2  4  0.4429  0.6747  0.5540  1.0
  Zn  Zn3  4  0.3306  0.6261  0.2494  1.0
  Ir  Ir4  2  0.5000  0.0000  0.5000  1.0
]