# generated using pymatgen
data_Pr3Th2P12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.58050538
_cell_length_b   12.58050514
_cell_length_c   4.02176030
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Th2P12Ru19
_chemical_formula_sum   'Pr3 Th2 P12 Ru19'
_cell_volume   551.24286278
_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  0.81509989  0.00000000  0.50000000  1.0
  Pr  Pr1  1  0.00000000  0.81509989  0.50000000  1.0
  Pr  Pr2  1  0.18490011  0.18490011  0.50000000  1.0
  Th  Th3  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th4  1  0.66666700  0.33333300  0.00000000  1.0
  P  P5  1  0.18807239  0.00000000  0.00000000  1.0
  P  P6  1  0.00000000  0.18807239  0.00000000  1.0
  P  P7  1  0.81192761  0.81192761  0.00000000  1.0
  P  P8  1  0.52595650  0.69679377  0.50000000  1.0
  P  P9  1  0.30320623  0.82916173  0.50000000  1.0
  P  P10  1  0.17083827  0.47404350  0.50000000  1.0
  P  P11  1  0.47404350  0.17083827  0.50000000  1.0
  P  P12  1  0.69679377  0.52595650  0.50000000  1.0
  P  P13  1  0.82916173  0.30320623  0.50000000  1.0
  P  P14  1  0.62522971  0.00000000  0.00000000  1.0
  P  P15  1  1.00000000  0.62522971  0.00000000  1.0
  P  P16  1  0.37477029  0.37477029  0.00000000  1.0
  Ru  Ru17  1  0.44597980  0.00000000  0.00000000  1.0
  Ru  Ru18  1  0.00000000  0.44597980  0.00000000  1.0
  Ru  Ru19  1  0.55402020  0.55402020  0.00000000  1.0
  Ru  Ru20  1  0.28484209  0.00000000  0.50000000  1.0
  Ru  Ru21  1  0.00000000  0.28484209  0.50000000  1.0
  Ru  Ru22  1  0.71515791  0.71515791  0.50000000  1.0
  Ru  Ru23  1  0.62063520  0.80540546  0.00000000  1.0
  Ru  Ru24  1  0.19459454  0.81522974  0.00000000  1.0
  Ru  Ru25  1  0.18477026  0.37936480  0.00000000  1.0
  Ru  Ru26  1  0.37936480  0.18477026  0.00000000  1.0
  Ru  Ru27  1  0.80540546  0.62063520  0.00000000  1.0
  Ru  Ru28  1  0.81522974  0.19459454  0.00000000  1.0
  Ru  Ru29  1  0.50555157  0.87393678  0.50000000  1.0
  Ru  Ru30  1  0.12606322  0.63161379  0.50000000  1.0
  Ru  Ru31  1  0.36838621  0.49444843  0.50000000  1.0
  Ru  Ru32  1  0.49444843  0.36838621  0.50000000  1.0
  Ru  Ru33  1  0.87393678  0.50555157  0.50000000  1.0
  Ru  Ru34  1  0.63161379  0.12606322  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.00000000  0.00000000  1.0