# generated using pymatgen
data_Sc5Cu(P2Ru3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.30488427
_cell_length_b   12.30488389
_cell_length_c   3.90724231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Cu(P2Ru3)6
_chemical_formula_sum   'Sc5 Cu1 P12 Ru18'
_cell_volume   512.33737396
_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  0.80542252  0.00000000  0.50000000  1.0
  Sc  Sc3  1  0.00000000  0.80542252  0.50000000  1.0
  Sc  Sc4  1  0.19457748  0.19457748  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1.0
  P  P6  1  0.17787918  1.00000000  0.00000000  1.0
  P  P7  1  1.00000000  0.17787918  0.00000000  1.0
  P  P8  1  0.82212082  0.82212082  0.00000000  1.0
  P  P9  1  0.17096869  0.47656560  0.50000000  1.0
  P  P10  1  0.52343440  0.69440310  0.50000000  1.0
  P  P11  1  0.30559690  0.82903131  0.50000000  1.0
  P  P12  1  0.69440310  0.52343440  0.50000000  1.0
  P  P13  1  0.82903131  0.30559690  0.50000000  1.0
  P  P14  1  0.47656560  0.17096869  0.50000000  1.0
  P  P15  1  0.62641799  0.00000000  0.00000000  1.0
  P  P16  1  0.00000000  0.62641799  0.00000000  1.0
  P  P17  1  0.37358201  0.37358201  0.00000000  1.0
  Ru  Ru18  1  0.44219117  1.00000000  0.00000000  1.0
  Ru  Ru19  1  1.00000000  0.44219117  0.00000000  1.0
  Ru  Ru20  1  0.55780883  0.55780883  0.00000000  1.0
  Ru  Ru21  1  0.36646440  0.49420376  0.50000000  1.0
  Ru  Ru22  1  0.50579624  0.87226065  0.50000000  1.0
  Ru  Ru23  1  0.12773935  0.63353560  0.50000000  1.0
  Ru  Ru24  1  0.87226065  0.50579624  0.50000000  1.0
  Ru  Ru25  1  0.63353560  0.12773935  0.50000000  1.0
  Ru  Ru26  1  0.49420376  0.36646440  0.50000000  1.0
  Ru  Ru27  1  0.18521637  0.37278884  0.00000000  1.0
  Ru  Ru28  1  0.62721116  0.81242853  0.00000000  1.0
  Ru  Ru29  1  0.18757147  0.81478363  0.00000000  1.0
  Ru  Ru30  1  0.81242853  0.62721116  0.00000000  1.0
  Ru  Ru31  1  0.81478363  0.18757147  0.00000000  1.0
  Ru  Ru32  1  0.37278884  0.18521637  0.00000000  1.0
  Ru  Ru33  1  0.27562335  1.00000000  0.50000000  1.0
  Ru  Ru34  1  1.00000000  0.27562335  0.50000000  1.0
  Ru  Ru35  1  0.72437665  0.72437665  0.50000000  1.0