# generated using pymatgen
data_PrTh3(Ga3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63410589
_cell_length_b   7.63964724
_cell_length_c   9.47341684
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68321191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh3(Ga3Ir)6
_chemical_formula_sum   'Pr1 Th3 Ga18 Ir6'
_cell_volume   480.00556488
_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
  Pr  Pr0  1  0.33000714  0.00340913  0.75000000  1.0
  Th  Th1  1  0.99812084  0.67051864  0.25000000  1.0
  Th  Th2  1  0.00127869  0.33043752  0.75000000  1.0
  Th  Th3  1  0.67040396  0.99744879  0.25000000  1.0
  Ga  Ga4  1  0.13603193  0.13428770  0.25000000  1.0
  Ga  Ga5  1  0.86728742  0.86738046  0.75000000  1.0
  Ga  Ga6  1  0.00630156  0.33520803  0.07870580  1.0
  Ga  Ga7  1  0.99720831  0.66828303  0.92117158  1.0
  Ga  Ga8  1  0.99720831  0.66828303  0.57882842  1.0
  Ga  Ga9  1  0.33541604  0.00551606  0.42449910  1.0
  Ga  Ga10  1  0.00630156  0.33520803  0.42129420  1.0
  Ga  Ga11  1  0.66185139  0.99424832  0.57864256  1.0
  Ga  Ga12  1  0.66185139  0.99424832  0.92135744  1.0
  Ga  Ga13  1  0.33541604  0.00551606  0.07550090  1.0
  Ga  Ga14  1  0.33700496  0.33464429  0.56356480  1.0
  Ga  Ga15  1  0.66185891  0.66167729  0.43827955  1.0
  Ga  Ga16  1  0.66185891  0.66167729  0.06172045  1.0
  Ga  Ga17  1  0.33700496  0.33464429  0.93643520  1.0
  Ga  Ga18  1  0.34073496  0.54217398  0.25000000  1.0
  Ga  Ga19  1  0.65935868  0.45589765  0.75000000  1.0
  Ga  Ga20  1  0.54291195  0.33935835  0.25000000  1.0
  Ga  Ga21  1  0.45609407  0.66097453  0.75000000  1.0
  Ir  Ir22  1  0.67498471  0.32980414  0.00147316  1.0
  Ir  Ir23  1  0.32736991  0.67024185  0.00165602  1.0
  Ir  Ir24  1  0.32736991  0.67024185  0.49834398  1.0
  Ir  Ir25  1  0.67498471  0.32980414  0.49852684  1.0
  Ir  Ir26  1  0.99689040  0.99943161  0.00220802  1.0
  Ir  Ir27  1  0.99689040  0.99943161  0.49779198  1.0