data_[Li4B8Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [5.8053]
_cell_length_b [12.4884]
_cell_length_c [4.8267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Li(BIr2)2]
_chemical_formula_sum '[Li4 B8 Ir16]'
_cell_volume [349.9256]
_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  0.2500  0.1264  0.4219  1
  B  B1  4  0.0000  0.0000  0.6341  1
  B  B2  4  0.2500  0.7469  0.6855  1
  Ir  Ir3  8  0.0162  0.1893  0.9345  1
  Ir  Ir4  4  0.2500  0.0056  0.9493  1
  Ir  Ir5  4  0.2500  0.5972  0.9401  1
]