# generated using pymatgen
data_PrTh7(Si3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27096343
_cell_length_b   8.27096359
_cell_length_c   8.34387850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh7(Si3Ru)4
_chemical_formula_sum   'Pr1 Th7 Si12 Ru4'
_cell_volume   494.32297738
_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  0.49999556  0.50000444  0.75000000  1.0
  Th  Th2  1  0.50001030  0.49998970  0.25000000  1.0
  Th  Th3  1  0.00000789  0.50000444  0.75000000  1.0
  Th  Th4  1  0.99997741  0.49998970  0.25000000  1.0
  Th  Th5  1  0.49999556  0.99999211  0.75000000  1.0
  Th  Th6  1  0.50001030  0.00002259  0.25000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.83343632  0.16656368  0.99769851  1.0
  Si  Si9  1  0.16656893  0.83343107  0.99768027  1.0
  Si  Si10  1  0.33312735  0.16656368  0.99769851  1.0
  Si  Si11  1  0.16656893  0.83343107  0.50231973  1.0
  Si  Si12  1  0.66686014  0.83343107  0.99768027  1.0
  Si  Si13  1  0.83343632  0.16656368  0.50230149  1.0
  Si  Si14  1  0.83343632  0.66687265  0.99769851  1.0
  Si  Si15  1  0.66686014  0.83343107  0.50231973  1.0
  Si  Si16  1  0.16656893  0.33313986  0.99768027  1.0
  Si  Si17  1  0.33312735  0.16656368  0.50230149  1.0
  Si  Si18  1  0.16656893  0.33313986  0.50231973  1.0
  Si  Si19  1  0.83343632  0.66687265  0.50230149  1.0
  Ru  Ru20  1  0.66666700  0.33333300  0.00579923  1.0
  Ru  Ru21  1  0.33333300  0.66666700  0.00595175  1.0
  Ru  Ru22  1  0.33333300  0.66666700  0.49404825  1.0
  Ru  Ru23  1  0.66666700  0.33333300  0.49420077  1.0