# generated using pymatgen
data_Tb3Hf(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49177533
_cell_length_b   7.48017135
_cell_length_c   9.36141428
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62283729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Hf(Al3Ir)6
_chemical_formula_sum   'Tb3 Hf1 Al18 Ir6'
_cell_volume   456.04366538
_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  0.00496296  0.32854281  0.75000000  1.0
  Tb  Tb1  1  0.67092245  0.99514965  0.25000000  1.0
  Tb  Tb2  1  0.32966270  0.00537987  0.75000000  1.0
  Hf  Hf3  1  0.99601655  0.67216762  0.25000000  1.0
  Al  Al4  1  0.12819449  0.12484186  0.25000000  1.0
  Al  Al5  1  0.87019436  0.86898822  0.75000000  1.0
  Al  Al6  1  0.00085911  0.33816093  0.07751152  1.0
  Al  Al7  1  0.99868885  0.66527785  0.93008908  1.0
  Al  Al8  1  0.99868885  0.66527785  0.56991092  1.0
  Al  Al9  1  0.33194456  0.99840725  0.42235713  1.0
  Al  Al10  1  0.00085911  0.33816093  0.42248848  1.0
  Al  Al11  1  0.66498758  0.99760731  0.57344945  1.0
  Al  Al12  1  0.66498758  0.99760731  0.92655055  1.0
  Al  Al13  1  0.33194456  0.99840725  0.07764287  1.0
  Al  Al14  1  0.33412216  0.33413199  0.54725540  1.0
  Al  Al15  1  0.66888200  0.66640079  0.44348318  1.0
  Al  Al16  1  0.66888200  0.66640079  0.05651682  1.0
  Al  Al17  1  0.33412216  0.33413199  0.95274460  1.0
  Al  Al18  1  0.33424023  0.54814292  0.25000000  1.0
  Al  Al19  1  0.66099841  0.45299504  0.75000000  1.0
  Al  Al20  1  0.55412471  0.34495066  0.25000000  1.0
  Al  Al21  1  0.45247899  0.65975988  0.75000000  1.0
  Ir  Ir22  1  0.67295201  0.32856826  0.00172411  1.0
  Ir  Ir23  1  0.32760271  0.67248860  0.00199112  1.0
  Ir  Ir24  1  0.32760271  0.67248860  0.49800888  1.0
  Ir  Ir25  1  0.67295201  0.32856826  0.49827589  1.0
  Ir  Ir26  1  0.99906309  0.99849676  0.00209616  1.0
  Ir  Ir27  1  0.99906309  0.99849676  0.49790384  1.0