# generated using pymatgen
data_Sc3Pa2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03836091
_cell_length_b   7.64866392
_cell_length_c   7.99952465
_cell_angle_alpha   118.55942796
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Pa2Ru3
_chemical_formula_sum   'Sc6 Pa4 Ru6'
_cell_volume   324.50579076
_cell_formula_units_Z   2
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  0.00000000  0.66222122  0.32444145  1.0
  Sc  Sc1  1  0.00000000  0.33777878  0.67555855  1.0
  Sc  Sc2  1  0.50000000  0.33777878  0.67555855  1.0
  Sc  Sc3  1  0.50000000  0.66222122  0.32444145  1.0
  Sc  Sc4  1  0.75000000  0.25948648  0.00000000  1.0
  Sc  Sc5  1  0.25000000  0.74051352  1.00000000  1.0
  Pa  Pa6  1  0.75000000  0.75733503  0.75128823  1.0
  Pa  Pa7  1  0.25000000  0.24266497  0.24871177  1.0
  Pa  Pa8  1  0.75000000  0.00604680  0.24871177  1.0
  Pa  Pa9  1  0.25000000  0.99395320  0.75128823  1.0
  Ru  Ru10  1  0.75000000  0.36880002  0.38983026  1.0
  Ru  Ru11  1  0.25000000  0.63119998  0.61016974  1.0
  Ru  Ru12  1  0.75000000  0.97896976  0.61016974  1.0
  Ru  Ru13  1  0.25000000  0.02103024  0.38983026  1.0
  Ru  Ru14  1  0.75000000  0.63385301  0.00000000  1.0
  Ru  Ru15  1  0.25000000  0.36614699  1.00000000  1.0