data_[Li12B2Ir4]
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/m]
_cell_length_a [6.9198]
_cell_length_b [12.4330]
_cell_length_c [2.8620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6BIr2]
_chemical_formula_sum '[Li12 B2 Ir4]'
_cell_volume [244.4535]
_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  8  0.1670  0.3175  0.7936  1.0
  Li  Li1  4  0.1988  0.5000  0.2925  1.0
  B  B2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.1239  0.5000  1.0
]