# generated using pymatgen
data_Zr3Sc2P12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.32873775
_cell_length_b   12.32873822
_cell_length_c   3.90669397
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.04563381
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc2P12Ru19
_chemical_formula_sum   'Zr3 Sc2 P12 Ru19'
_cell_volume   514.01688015
_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  0.18687861  0.18687861  0.50000000  1.0
  Zr  Zr1  1  0.33212319  0.66539949  0.00000000  1.0
  Zr  Zr2  1  0.66539949  0.33212319  0.00000000  1.0
  Sc  Sc3  1  0.81348243  0.00092080  0.50000000  1.0
  Sc  Sc4  1  0.00092080  0.81348243  0.50000000  1.0
  P  P5  1  0.81720818  0.81720818  0.00000000  1.0
  P  P6  1  0.18047674  0.99962858  0.00000000  1.0
  P  P7  1  0.99962858  0.18047674  0.00000000  1.0
  P  P8  1  0.17262813  0.47830446  0.50000000  1.0
  P  P9  1  0.52226404  0.69546503  0.50000000  1.0
  P  P10  1  0.30523311  0.82755478  0.50000000  1.0
  P  P11  1  0.69546503  0.52226404  0.50000000  1.0
  P  P12  1  0.82755478  0.30523311  0.50000000  1.0
  P  P13  1  0.47830446  0.17262813  0.50000000  1.0
  P  P14  1  0.37067956  0.37067956  0.00000000  1.0
  P  P15  1  0.62898488  0.00031957  0.00000000  1.0
  P  P16  1  0.00031957  0.62898488  0.00000000  1.0
  Ru  Ru17  1  0.55458576  0.55458576  0.00000000  1.0
  Ru  Ru18  1  0.44547451  0.00210184  0.00000000  1.0
  Ru  Ru19  1  0.00210184  0.44547451  0.00000000  1.0
  Ru  Ru20  1  0.72109530  0.72109530  0.50000000  1.0
  Ru  Ru21  1  0.27956847  0.00112065  0.50000000  1.0
  Ru  Ru22  1  0.00112065  0.27956847  0.50000000  1.0
  Ru  Ru23  1  0.18498536  0.37326385  0.00000000  1.0
  Ru  Ru24  1  0.62370790  0.80950871  0.00000000  1.0
  Ru  Ru25  1  0.19037464  0.81526584  0.00000000  1.0
  Ru  Ru26  1  0.80950871  0.62370790  0.00000000  1.0
  Ru  Ru27  1  0.81526584  0.19037464  0.00000000  1.0
  Ru  Ru28  1  0.37326385  0.18498536  0.00000000  1.0
  Ru  Ru29  1  0.36677321  0.49537212  0.50000000  1.0
  Ru  Ru30  1  0.50489306  0.87267577  0.50000000  1.0
  Ru  Ru31  1  0.12876777  0.63359326  0.50000000  1.0
  Ru  Ru32  1  0.87267577  0.50489306  0.50000000  1.0
  Ru  Ru33  1  0.63359326  0.12876777  0.50000000  1.0
  Ru  Ru34  1  0.49537212  0.36677321  0.50000000  1.0
  Ru  Ru35  1  0.99932440  0.99932440  0.00000000  1.0