# generated using pymatgen
data_Sm3Sc2(Al5Ru2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99007801
_cell_length_b   8.99007655
_cell_length_c   9.62753499
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Sc2(Al5Ru2)2
_chemical_formula_sum   'Sm6 Sc4 Al20 Ru8'
_cell_volume   673.86455192
_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
  Sm  Sm0  1  0.18556506  0.37112912  0.25000000  1.0
  Sm  Sm1  1  0.81443494  0.62887088  0.75000000  1.0
  Sm  Sm2  1  0.62887088  0.81443494  0.25000000  1.0
  Sm  Sm3  1  0.37112912  0.18556506  0.75000000  1.0
  Sm  Sm4  1  0.18556506  0.81443494  0.25000000  1.0
  Sm  Sm5  1  0.81443494  0.18556506  0.75000000  1.0
  Sc  Sc6  1  0.33333300  0.66666700  0.00933502  1.0
  Sc  Sc7  1  0.66666700  0.33333300  0.99066498  1.0
  Sc  Sc8  1  0.66666700  0.33333300  0.50933502  1.0
  Sc  Sc9  1  0.33333300  0.66666700  0.49066498  1.0
  Al  Al10  1  0.15819936  0.31639871  0.57576304  1.0
  Al  Al11  1  0.84180064  0.68360129  0.42423696  1.0
  Al  Al12  1  0.68360129  0.84180064  0.57576304  1.0
  Al  Al13  1  0.84180064  0.68360129  0.07576304  1.0
  Al  Al14  1  0.31639871  0.15819936  0.42423696  1.0
  Al  Al15  1  0.15819936  0.31639871  0.92423696  1.0
  Al  Al16  1  0.15819936  0.84180064  0.57576304  1.0
  Al  Al17  1  0.31639871  0.15819936  0.07576304  1.0
  Al  Al18  1  0.84180064  0.15819936  0.42423696  1.0
  Al  Al19  1  0.68360129  0.84180064  0.92423696  1.0
  Al  Al20  1  0.84180064  0.15819936  0.07576304  1.0
  Al  Al21  1  0.15819936  0.84180064  0.92423696  1.0
  Al  Al22  1  0.56039565  0.12078930  0.25000000  1.0
  Al  Al23  1  0.43960435  0.87921070  0.75000000  1.0
  Al  Al24  1  0.87921070  0.43960435  0.25000000  1.0
  Al  Al25  1  0.12078930  0.56039565  0.75000000  1.0
  Al  Al26  1  0.56039565  0.43960435  0.25000000  1.0
  Al  Al27  1  0.43960435  0.56039565  0.75000000  1.0
  Al  Al28  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.75000000  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru32  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru33  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru34  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru35  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru36  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru37  1  0.00000000  0.00000000  0.50000000  1.0