# generated using pymatgen
data_Sc2Al9CuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43760319
_cell_length_b   7.43760254
_cell_length_c   9.22822478
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.09089962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Al9CuRu2
_chemical_formula_sum   'Sc4 Al18 Cu2 Ru4'
_cell_volume   441.68864972
_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  0.99707469  0.66855009  0.25000000  1.0
  Sc  Sc1  1  0.00292531  0.33144991  0.75000000  1.0
  Sc  Sc2  1  0.66855009  0.99707469  0.25000000  1.0
  Sc  Sc3  1  0.33144991  0.00292531  0.75000000  1.0
  Al  Al4  1  0.12210329  0.12210329  0.25000000  1.0
  Al  Al5  1  0.87789671  0.87789671  0.75000000  1.0
  Al  Al6  1  0.99831897  0.33712717  0.07615271  1.0
  Al  Al7  1  0.00168103  0.66287283  0.92384729  1.0
  Al  Al8  1  0.00168103  0.66287283  0.57615271  1.0
  Al  Al9  1  0.33712717  0.99831897  0.42384729  1.0
  Al  Al10  1  0.99831897  0.33712717  0.42384729  1.0
  Al  Al11  1  0.66287283  0.00168103  0.57615271  1.0
  Al  Al12  1  0.66287283  0.00168103  0.92384729  1.0
  Al  Al13  1  0.33712717  0.99831897  0.07615271  1.0
  Al  Al14  1  0.33431083  0.33431083  0.54968451  1.0
  Al  Al15  1  0.66568917  0.66568917  0.45031549  1.0
  Al  Al16  1  0.66568917  0.66568917  0.04968451  1.0
  Al  Al17  1  0.33431083  0.33431083  0.95031549  1.0
  Al  Al18  1  0.33729456  0.55353679  0.25000000  1.0
  Al  Al19  1  0.66270544  0.44646321  0.75000000  1.0
  Al  Al20  1  0.55353679  0.33729456  0.25000000  1.0
  Al  Al21  1  0.44646321  0.66270544  0.75000000  1.0
  Cu  Cu22  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu23  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru24  1  0.67250837  0.32749163  0.00000000  1.0
  Ru  Ru25  1  0.32749163  0.67250837  0.00000000  1.0
  Ru  Ru26  1  0.32749163  0.67250837  0.50000000  1.0
  Ru  Ru27  1  0.67250837  0.32749163  0.50000000  1.0