# generated using pymatgen
data_Tb16In4IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63873693
_cell_length_b   9.63420024
_cell_length_c   9.63797410
_cell_angle_alpha   59.98816583
_cell_angle_beta   60.00352814
_cell_angle_gamma   59.99027495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb16In4IrRu3
_chemical_formula_sum   'Tb16 In4 Ir1 Ru3'
_cell_volume   632.77213618
_cell_formula_units_Z   1
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  1  0.09774941  0.70674788  0.09775357  1.0
  Tb  Tb1  1  0.94145160  0.94152999  0.55851277  1.0
  Tb  Tb2  1  0.94172558  0.56001503  0.94173179  1.0
  Tb  Tb3  1  0.30937032  0.69034810  0.30940465  1.0
  Tb  Tb4  1  0.94172424  0.56001561  0.55652075  1.0
  Tb  Tb5  1  0.30996577  0.30886667  0.69057646  1.0
  Tb  Tb6  1  0.09891672  0.09706799  0.09888591  1.0
  Tb  Tb7  1  0.55650883  0.56002029  0.94173181  1.0
  Tb  Tb8  1  0.09890403  0.09708532  0.70513143  1.0
  Tb  Tb9  1  0.69058693  0.30885470  0.69057891  1.0
  Tb  Tb10  1  0.69085367  0.69032934  0.30942102  1.0
  Tb  Tb11  1  0.69059088  0.30885459  0.30995335  1.0
  Tb  Tb12  1  0.30935897  0.69037513  0.69089941  1.0
  Tb  Tb13  1  0.55850517  0.94153152  0.55851274  1.0
  Tb  Tb14  1  0.70512518  0.09707015  0.09889965  1.0
  Tb  Tb15  1  0.55849837  0.94152194  0.94148363  1.0
  In  In16  1  0.33203278  0.33212063  0.33201661  1.0
  In  In17  1  0.00383572  0.33210587  0.33201356  1.0
  In  In18  1  0.33218773  0.00341615  0.33221905  1.0
  In  In19  1  0.33204837  0.33210349  0.00378841  1.0
  Ir  Ir20  1  0.89033030  0.32907970  0.89029844  1.0
  Ru  Ru21  1  0.88865771  0.89031472  0.88861202  1.0
  Ru  Ru22  1  0.88865978  0.89030660  0.33241909  1.0
  Ru  Ru23  1  0.33241295  0.89031761  0.88863496  1.0