data_[Li8Ga16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.7317]
_cell_length_b [7.7317]
_cell_length_c [7.4849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Li2Ga4Ir]
_chemical_formula_sum '[Li8 Ga16 Ir4]'
_cell_volume [447.4390]
_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
[
  Li  Li0  8  0.1059  0.2500  0.6250  1
  Ga  Ga1  16  0.0883  0.1745  0.2859  1
  Ir  Ir2  4  0.0000  0.0000  0.0000  1
]