# generated using pymatgen
data_PrTh7(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20954922
_cell_length_b   8.20954984
_cell_length_c   8.53377950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh7(Si3Ir)4
_chemical_formula_sum   'Pr1 Th7 Si12 Ir4'
_cell_volume   498.09329715
_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  0.00000000  0.00000000  0.25000000  1.0
  Th  Th1  1  0.49993556  0.50006444  0.75000000  1.0
  Th  Th2  1  0.50005586  0.49994414  0.25000000  1.0
  Th  Th3  1  0.00012688  0.50006444  0.75000000  1.0
  Th  Th4  1  0.99988828  0.49994414  0.25000000  1.0
  Th  Th5  1  0.49993556  0.99987312  0.75000000  1.0
  Th  Th6  1  0.50005586  0.00011172  0.25000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.83353651  0.16646349  0.99894270  1.0
  Si  Si9  1  0.16646630  0.83353370  0.99909016  1.0
  Si  Si10  1  0.33292797  0.16646349  0.99894270  1.0
  Si  Si11  1  0.16646630  0.83353370  0.50090984  1.0
  Si  Si12  1  0.66706640  0.83353370  0.99909016  1.0
  Si  Si13  1  0.83353651  0.16646349  0.50105730  1.0
  Si  Si14  1  0.83353651  0.66707203  0.99894270  1.0
  Si  Si15  1  0.66706640  0.83353370  0.50090984  1.0
  Si  Si16  1  0.16646630  0.33293360  0.99909016  1.0
  Si  Si17  1  0.33292797  0.16646349  0.50105730  1.0
  Si  Si18  1  0.16646630  0.33293360  0.50090984  1.0
  Si  Si19  1  0.83353651  0.66707203  0.50105730  1.0
  Ir  Ir20  1  0.66666700  0.33333300  0.00088690  1.0
  Ir  Ir21  1  0.33333300  0.66666700  0.00143637  1.0
  Ir  Ir22  1  0.33333300  0.66666700  0.49856363  1.0
  Ir  Ir23  1  0.66666700  0.33333300  0.49911310  1.0