data_[Ga4B8Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6384]
_cell_length_b [8.5509]
_cell_length_c [6.8589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ga(BIr2)2]
_chemical_formula_sum '[Ga4 B8 Ir16]'
_cell_volume [363.9993]
_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
[
  Ga  Ga0  2  0.0000  0.2175  0.0000  1
  Ga  Ga1  2  0.0000  0.9711  0.5000  1
  B  B2  4  0.0874  0.5935  0.8835  1
  B  B3  4  0.2247  0.9125  0.1924  1
  Ir  Ir4  4  0.0650  0.4007  0.3288  1
  Ir  Ir5  4  0.1006  0.8523  0.8585  1
  Ir  Ir6  4  0.2185  0.6216  0.6329  1
  Ir  Ir7  4  0.2496  0.1504  0.7939  1
]