data_[Si2B12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2585]
_cell_length_b [6.4699]
_cell_length_c [3.1891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Si(B3Ir)2]
_chemical_formula_sum '[Si2 B12 Ir4]'
_cell_volume [181.4269]
_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
[
  Si  Si0  2  0.0332  0.0000  0.4371  1
  B  B1  4  0.1883  0.2679  0.6622  1
  B  B2  4  0.3106  0.2549  0.2337  1
  B  B3  4  0.4963  0.1876  0.4548  1
  Ir  Ir4  2  0.1465  0.5000  0.1363  1
  Ir  Ir5  2  0.3299  0.0000  0.7252  1
]