# generated using pymatgen
data_ZrSc4P12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.32457362
_cell_length_b   12.32457319
_cell_length_c   3.91247616
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc4P12Ru19
_chemical_formula_sum   'Zr1 Sc4 P12 Ru19'
_cell_volume   514.66677688
_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
  Zr  Zr0  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc1  1  0.81630250  0.99963467  0.50000000  1.0
  Sc  Sc2  1  0.00036533  0.81666783  0.50000000  1.0
  Sc  Sc3  1  0.18333217  0.18369750  0.50000000  1.0
  Sc  Sc4  1  0.66666700  0.33333300  0.00000000  1.0
  P  P5  1  0.18200629  0.00029674  0.00000000  1.0
  P  P6  1  0.99970326  0.18170955  0.00000000  1.0
  P  P7  1  0.81829045  0.81799371  0.00000000  1.0
  P  P8  1  0.52315472  0.69489029  0.50000000  1.0
  P  P9  1  0.30510971  0.82826443  0.50000000  1.0
  P  P10  1  0.17173557  0.47684528  0.50000000  1.0
  P  P11  1  0.47831923  0.17270226  0.50000000  1.0
  P  P12  1  0.69438304  0.52168077  0.50000000  1.0
  P  P13  1  0.82729774  0.30561696  0.50000000  1.0
  P  P14  1  0.62906750  0.00112621  0.00000000  1.0
  P  P15  1  0.99887379  0.62794230  0.00000000  1.0
  P  P16  1  0.37205770  0.37093250  0.00000000  1.0
  Ru  Ru17  1  0.44353279  0.99737045  0.00000000  1.0
  Ru  Ru18  1  0.00262955  0.44616234  0.00000000  1.0
  Ru  Ru19  1  0.55383766  0.55646721  0.00000000  1.0
  Ru  Ru20  1  0.27924524  0.00022066  0.50000000  1.0
  Ru  Ru21  1  0.99977934  0.27902558  0.50000000  1.0
  Ru  Ru22  1  0.72097442  0.72075476  0.50000000  1.0
  Ru  Ru23  1  0.62524908  0.81142014  0.00000000  1.0
  Ru  Ru24  1  0.18857986  0.81382894  0.00000000  1.0
  Ru  Ru25  1  0.18617106  0.37475092  0.00000000  1.0
  Ru  Ru26  1  0.37591553  0.18529088  0.00000000  1.0
  Ru  Ru27  1  0.80937635  0.62408447  0.00000000  1.0
  Ru  Ru28  1  0.81470912  0.19062365  0.00000000  1.0
  Ru  Ru29  1  0.50376845  0.87021101  0.50000000  1.0
  Ru  Ru30  1  0.12978899  0.63355743  0.50000000  1.0
  Ru  Ru31  1  0.36644257  0.49623155  0.50000000  1.0
  Ru  Ru32  1  0.49349973  0.36699655  0.50000000  1.0
  Ru  Ru33  1  0.87349683  0.50650027  0.50000000  1.0
  Ru  Ru34  1  0.63300345  0.12650317  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.00000000  0.00000000  1.0