data_[Li4Ga16Ir2]
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 [16.9931]
_cell_length_b [4.1237]
_cell_length_c [5.5431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ga8Ir]
_chemical_formula_sum '[Li4 Ga16 Ir2]'
_cell_volume [385.8546]
_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  0.2033  0.0000  0.5994  1.0
  Ga  Ga1  4  0.0076  0.0000  0.7326  1.0
  Ga  Ga2  4  0.1223  0.5000  0.3178  1.0
  Ga  Ga3  4  0.1297  0.5000  0.8031  1.0
  Ga  Ga4  4  0.2047  0.0000  0.0975  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]