data_[La6B36Ir3Os9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8588]
_cell_length_b [5.8588]
_cell_length_c [22.2693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2B12IrOs3]
_chemical_formula_sum '[La6 B36 Ir3 Os9]'
_cell_volume [661.9965]
_cell_formula_units_Z [3]
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
[
  La  La0  6  0.0000  0.0000  0.3673  1
  B  B1  18  0.0392  0.5196  0.5986  1
  B  B2  18  0.1026  0.2052  0.2408  1
  Os  Os3  9  0.0000  0.5000  0.5000  1
  Ir  Ir4  3  0.0000  0.0000  0.0000  1
]