# generated using pymatgen
data_Tb3Zr(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49611875
_cell_length_b   7.48581277
_cell_length_c   9.37744735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62900882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Zr(Al3Ir)6
_chemical_formula_sum   'Tb3 Zr1 Al18 Ir6'
_cell_volume   457.40627867
_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  0.00503489  0.32866846  0.75000000  1.0
  Tb  Tb1  1  0.67066421  0.99509865  0.25000000  1.0
  Tb  Tb2  1  0.32959631  0.00542368  0.75000000  1.0
  Zr  Zr3  1  0.99582430  0.67133374  0.25000000  1.0
  Al  Al4  1  0.12783126  0.12472397  0.25000000  1.0
  Al  Al5  1  0.87027347  0.86907128  0.75000000  1.0
  Al  Al6  1  0.00087013  0.33763068  0.07663720  1.0
  Al  Al7  1  0.99880410  0.66536757  0.92974667  1.0
  Al  Al8  1  0.99880410  0.66536757  0.57025333  1.0
  Al  Al9  1  0.33215390  0.99877978  0.42321112  1.0
  Al  Al10  1  0.00087013  0.33763068  0.42336280  1.0
  Al  Al11  1  0.66496385  0.99772543  0.57348940  1.0
  Al  Al12  1  0.66496385  0.99772543  0.92651060  1.0
  Al  Al13  1  0.33215390  0.99877978  0.07678888  1.0
  Al  Al14  1  0.33421046  0.33425012  0.54749873  1.0
  Al  Al15  1  0.66867303  0.66650158  0.44466635  1.0
  Al  Al16  1  0.66867303  0.66650158  0.05533365  1.0
  Al  Al17  1  0.33421046  0.33425012  0.95250127  1.0
  Al  Al18  1  0.33457151  0.54810608  0.25000000  1.0
  Al  Al19  1  0.66098608  0.45295502  0.75000000  1.0
  Al  Al20  1  0.55361821  0.34435223  0.25000000  1.0
  Al  Al21  1  0.45254744  0.65991302  0.75000000  1.0
  Ir  Ir22  1  0.67256693  0.32826689  0.00134443  1.0
  Ir  Ir23  1  0.32798209  0.67242432  0.00163694  1.0
  Ir  Ir24  1  0.32798209  0.67242432  0.49836306  1.0
  Ir  Ir25  1  0.67256693  0.32826689  0.49865557  1.0
  Ir  Ir26  1  0.99930216  0.99923107  0.00148072  1.0
  Ir  Ir27  1  0.99930216  0.99923107  0.49851928  1.0