data_[Li4Ga20Ir12]
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 [C2/m]
_cell_length_a [8.9498]
_cell_length_b [9.0929]
_cell_length_c [8.6788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiGa5Ir3]
_chemical_formula_sum '[Li4 Ga20 Ir12]'
_cell_volume [667.2142]
_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  4  0.2411  0.0000  0.2478  1
  Ga  Ga1  8  0.0146  0.2689  0.6718  1
  Ga  Ga2  4  0.0000  0.2643  0.0000  1
  Ga  Ga3  4  0.2368  0.0000  0.5536  1
  Ga  Ga4  4  0.2493  0.5000  0.0608  1
  Ir  Ir5  4  0.0190  0.5000  0.1721  1
  Ir  Ir6  4  0.0242  0.0000  0.6756  1
  Ir  Ir7  2  0.0000  0.0000  0.0000  1
  Ir  Ir8  2  0.0000  0.5000  0.5000  1
]