data_[Li4Y8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0615]
_cell_length_b [5.3733]
_cell_length_c [7.9018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(YIr)2]
_chemical_formula_sum '[Li4 Y8 Ir8]'
_cell_volume [407.3973]
_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  0.0000  0.1391  0.7500  1.0
  Y  Y1  8  0.1457  0.3452  0.1487  1.0
  Ir  Ir2  8  0.1346  0.1501  0.5106  1.0
]