# generated using pymatgen
data_Sm3(SiRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66517727
_cell_length_b   7.72184382
_cell_length_c   13.46402399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3(SiRu)2
_chemical_formula_sum   'Sm12 Si8 Ru8'
_cell_volume   588.99199759
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.62814946  0.25679677  0.25000000  1.0
  Sm  Sm1  1  0.37185054  0.74320323  0.75000000  1.0
  Sm  Sm2  1  0.37185054  0.75679677  0.25000000  1.0
  Sm  Sm3  1  0.62814946  0.24320323  0.75000000  1.0
  Sm  Sm4  1  0.14561990  0.40112330  0.10036516  1.0
  Sm  Sm5  1  0.85438010  0.59887670  0.89963484  1.0
  Sm  Sm6  1  0.85438010  0.59887670  0.60036516  1.0
  Sm  Sm7  1  0.85438010  0.90112330  0.39963484  1.0
  Sm  Sm8  1  0.14561990  0.40112330  0.39963484  1.0
  Sm  Sm9  1  0.14561990  0.09887670  0.60036516  1.0
  Sm  Sm10  1  0.14561990  0.09887670  0.89963484  1.0
  Sm  Sm11  1  0.85438010  0.90112330  0.10036516  1.0
  Si  Si12  1  0.14500076  0.10601994  0.25000000  1.0
  Si  Si13  1  0.85499924  0.89398006  0.75000000  1.0
  Si  Si14  1  0.85499924  0.60601994  0.25000000  1.0
  Si  Si15  1  0.14500076  0.39398006  0.75000000  1.0
  Si  Si16  1  0.59854477  0.25000000  0.00000000  1.0
  Si  Si17  1  0.40145523  0.75000000  0.00000000  1.0
  Si  Si18  1  0.40145523  0.75000000  0.50000000  1.0
  Si  Si19  1  0.59854477  0.25000000  0.50000000  1.0
  Ru  Ru20  1  0.35243888  0.02694517  0.08951212  1.0
  Ru  Ru21  1  0.64756112  0.97305483  0.91048788  1.0
  Ru  Ru22  1  0.64756112  0.97305483  0.58951212  1.0
  Ru  Ru23  1  0.64756112  0.52694517  0.41048788  1.0
  Ru  Ru24  1  0.35243888  0.02694517  0.41048788  1.0
  Ru  Ru25  1  0.35243888  0.47305483  0.58951212  1.0
  Ru  Ru26  1  0.35243888  0.47305483  0.91048788  1.0
  Ru  Ru27  1  0.64756112  0.52694517  0.08951212  1.0