data_[Li4B8Ir8]
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 [C2/c]
_cell_length_a [6.2054]
_cell_length_b [8.8247]
_cell_length_c [5.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(BIr)2]
_chemical_formula_sum '[Li4 B8 Ir8]'
_cell_volume [281.6019]
_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  0.1278  0.7500  1.0
  B  B1  4  0.0000  0.1899  0.2500  1.0
  B  B2  4  0.0000  0.4340  0.7500  1.0
  Ir  Ir3  8  0.1381  0.3769  0.5170  1.0
]