data_[Li4Zn16Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1404]
_cell_length_b [4.1731]
_cell_length_c [6.4705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zn8Ir]
_chemical_formula_sum '[Li4 Zn16 Ir2]'
_cell_volume [317.0033]
_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
[
  Li  Li0  4  0.2257  0.0000  0.6596  1
  Zn  Zn1  4  0.0276  0.0000  0.7199  1
  Zn  Zn2  4  0.1037  0.5000  0.4489  1
  Zn  Zn3  4  0.1440  0.0000  0.1663  1
  Zn  Zn4  4  0.1710  0.5000  0.8918  1
  Ir  Ir5  2  0.0000  0.5000  0.0000  1
]