data_[Li18Ge6Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3576]
_cell_length_b [4.3576]
_cell_length_c [26.5723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li6Ge2Ir]
_chemical_formula_sum '[Li18 Ge6 Ir3]'
_cell_volume [436.9781]
_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  6  0.0000  0.0000  0.1919  1.0
  Li  Li1  6  0.0000  0.0000  0.2986  1.0
  Li  Li2  6  0.0000  0.0000  0.3953  1.0
  Ge  Ge3  6  0.0000  0.0000  0.0908  1.0
  Ir  Ir4  3  0.0000  0.0000  0.0000  1.0
]