# generated using pymatgen
data_Th4Al17ZnIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60469445
_cell_length_b   7.60470030
_cell_length_c   9.49240420
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.12664293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Al17ZnIr6
_chemical_formula_sum   'Th4 Al17 Zn1 Ir6'
_cell_volume   479.54113269
_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
  Th  Th0  1  0.99360229  0.67513019  0.75000000  1.0
  Th  Th1  1  0.00553460  0.32633503  0.25000000  1.0
  Th  Th2  1  0.67513016  0.99360128  0.75000000  1.0
  Th  Th3  1  0.32633531  0.00553494  0.25000000  1.0
  Al  Al4  1  0.86264288  0.86264229  0.25000000  1.0
  Al  Al5  1  0.00713648  0.33496729  0.57607477  1.0
  Al  Al6  1  0.99438263  0.66265906  0.42616310  1.0
  Al  Al7  1  0.99438263  0.66265906  0.07383690  1.0
  Al  Al8  1  0.33496831  0.00713685  0.92392539  1.0
  Al  Al9  1  0.00713648  0.33496729  0.92392523  1.0
  Al  Al10  1  0.66265972  0.99438240  0.07383686  1.0
  Al  Al11  1  0.66265972  0.99438240  0.42616314  1.0
  Al  Al12  1  0.33496831  0.00713685  0.57607461  1.0
  Al  Al13  1  0.33616156  0.33616754  0.04326478  1.0
  Al  Al14  1  0.66361307  0.66361230  0.95606937  1.0
  Al  Al15  1  0.66361307  0.66361230  0.54393063  1.0
  Al  Al16  1  0.33616156  0.33616754  0.45673522  1.0
  Al  Al17  1  0.34086177  0.54469991  0.75000000  1.0
  Al  Al18  1  0.65765672  0.45302399  0.25000000  1.0
  Al  Al19  1  0.54470052  0.34086080  0.75000000  1.0
  Al  Al20  1  0.45302520  0.65765651  0.25000000  1.0
  Zn  Zn21  1  0.14426882  0.14426919  0.75000000  1.0
  Ir  Ir22  1  0.67300999  0.32753924  0.49985667  1.0
  Ir  Ir23  1  0.32754015  0.67301017  0.49985672  1.0
  Ir  Ir24  1  0.32754015  0.67301017  0.00014328  1.0
  Ir  Ir25  1  0.67300999  0.32753924  0.00014333  1.0
  Ir  Ir26  1  0.99864993  0.99864908  0.49460170  1.0
  Ir  Ir27  1  0.99864993  0.99864908  0.00539830  1.0