# generated using pymatgen
data_Tb3Th(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53687636
_cell_length_b   7.54683691
_cell_length_c   9.45013171
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.53901514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Th(Al3Ir)6
_chemical_formula_sum   'Tb3 Th1 Al18 Ir6'
_cell_volume   467.65280551
_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  0.00375069  0.32884107  0.75000000  1.0
  Tb  Tb1  1  0.67105737  0.99460631  0.25000000  1.0
  Tb  Tb2  1  0.32921834  0.00480959  0.75000000  1.0
  Th  Th3  1  0.99532243  0.67054919  0.25000000  1.0
  Al  Al4  1  0.13240671  0.13421589  0.25000000  1.0
  Al  Al5  1  0.87029133  0.87241614  0.75000000  1.0
  Al  Al6  1  0.00194637  0.33087807  0.07070373  1.0
  Al  Al7  1  0.99845676  0.66476705  0.92051005  1.0
  Al  Al8  1  0.99845676  0.66476705  0.57948995  1.0
  Al  Al9  1  0.33937594  0.00579137  0.42935338  1.0
  Al  Al10  1  0.00194637  0.33087807  0.42929627  1.0
  Al  Al11  1  0.66508602  0.99934820  0.57398356  1.0
  Al  Al12  1  0.66508602  0.99934820  0.92601644  1.0
  Al  Al13  1  0.33937594  0.00579137  0.07064662  1.0
  Al  Al14  1  0.33323523  0.33318942  0.55243740  1.0
  Al  Al15  1  0.66264525  0.66581670  0.45583122  1.0
  Al  Al16  1  0.66264525  0.66581670  0.04416878  1.0
  Al  Al17  1  0.33323523  0.33318942  0.94756260  1.0
  Al  Al18  1  0.34297639  0.54639552  0.25000000  1.0
  Al  Al19  1  0.65879425  0.45108118  0.75000000  1.0
  Al  Al20  1  0.54290088  0.33642722  0.25000000  1.0
  Al  Al21  1  0.45134894  0.66152359  0.75000000  1.0
  Ir  Ir22  1  0.67317889  0.32937056  0.00023797  1.0
  Ir  Ir23  1  0.32673267  0.67168760  0.00032885  1.0
  Ir  Ir24  1  0.32673267  0.67168760  0.49967115  1.0
  Ir  Ir25  1  0.67317889  0.32937056  0.49976203  1.0
  Ir  Ir26  1  0.00030870  0.99871818  0.00043608  1.0
  Ir  Ir27  1  0.00030870  0.99871818  0.49956392  1.0