data_[Tb6Ga18Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7889]
_cell_length_b [4.0300]
_cell_length_c [9.7387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbGa3Ir2]
_chemical_formula_sum '[Tb6 Ga18 Ir12]'
_cell_volume [645.1442]
_cell_formula_units_Z [6]
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
[
  Tb  Tb0  4  0.1537  0.0000  0.7101  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0574  0.0000  0.3457  1
  Ga  Ga3  4  0.1416  0.5000  0.1945  1
  Ga  Ga4  4  0.1465  0.5000  0.9370  1
  Ga  Ga5  4  0.2257  0.0000  0.3735  1
  Ga  Ga6  2  0.0000  0.5000  0.5000  1
  Ir  Ir7  4  0.0125  0.5000  0.7700  1
  Ir  Ir8  4  0.1406  0.5000  0.4567  1
  Ir  Ir9  4  0.2083  0.0000  0.0921  1
]