# generated using pymatgen
data_Sc5Ni(P2Ru3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.28289536
_cell_length_b   12.28289586
_cell_length_c   3.90166334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Ni(P2Ru3)6
_chemical_formula_sum   'Sc5 Ni1 P12 Ru18'
_cell_volume   509.77901297
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.00000000  1.0
  Sc  Sc2  1  0.81206558  0.00000000  0.50000000  1.0
  Sc  Sc3  1  0.00000000  0.81206558  0.50000000  1.0
  Sc  Sc4  1  0.18793442  0.18793442  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0
  P  P6  1  0.17444950  0.00000000  0.00000000  1.0
  P  P7  1  1.00000000  0.17444950  0.00000000  1.0
  P  P8  1  0.82555050  0.82555050  0.00000000  1.0
  P  P9  1  0.17050708  0.47610958  0.50000000  1.0
  P  P10  1  0.52389042  0.69439750  0.50000000  1.0
  P  P11  1  0.30560250  0.82949292  0.50000000  1.0
  P  P12  1  0.69439750  0.52389042  0.50000000  1.0
  P  P13  1  0.82949292  0.30560250  0.50000000  1.0
  P  P14  1  0.47610958  0.17050708  0.50000000  1.0
  P  P15  1  0.62682235  0.00000000  0.00000000  1.0
  P  P16  1  0.00000000  0.62682235  0.00000000  1.0
  P  P17  1  0.37317765  0.37317765  0.00000000  1.0
  Ru  Ru18  1  0.44203681  0.00000000  0.00000000  1.0
  Ru  Ru19  1  1.00000000  0.44203681  0.00000000  1.0
  Ru  Ru20  1  0.55796319  0.55796319  0.00000000  1.0
  Ru  Ru21  1  0.36635147  0.49396025  0.50000000  1.0
  Ru  Ru22  1  0.50603975  0.87239223  0.50000000  1.0
  Ru  Ru23  1  0.12760777  0.63364853  0.50000000  1.0
  Ru  Ru24  1  0.87239223  0.50603975  0.50000000  1.0
  Ru  Ru25  1  0.63364853  0.12760777  0.50000000  1.0
  Ru  Ru26  1  0.49396025  0.36635147  0.50000000  1.0
  Ru  Ru27  1  0.18501835  0.37271008  0.00000000  1.0
  Ru  Ru28  1  0.62728992  0.81230927  0.00000000  1.0
  Ru  Ru29  1  0.18769073  0.81498165  0.00000000  1.0
  Ru  Ru30  1  0.81230927  0.62728992  0.00000000  1.0
  Ru  Ru31  1  0.81498165  0.18769073  0.00000000  1.0
  Ru  Ru32  1  0.37271008  0.18501835  0.00000000  1.0
  Ru  Ru33  1  0.27467404  0.00000000  0.50000000  1.0
  Ru  Ru34  1  1.00000000  0.27467404  0.50000000  1.0
  Ru  Ru35  1  0.72532596  0.72532596  0.50000000  1.0