data_[Li24Zn18Ir3]
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 [R-3m]
_cell_length_a [7.7975]
_cell_length_b [7.7975]
_cell_length_c [13.7869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li8Zn6Ir]
_chemical_formula_sum '[Li24 Zn18 Ir3]'
_cell_volume [725.9539]
_cell_formula_units_Z [3]
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  18  0.1001  0.5501  0.8325  1.0
  Li  Li1  6  0.0000  0.0000  0.3938  1.0
  Zn  Zn2  18  0.0000  0.3344  0.0000  1.0
  Ir  Ir3  3  0.0000  0.0000  0.0000  1.0
]