# generated using pymatgen
data_Sc12Si12Ru3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03266898
_cell_length_b   10.27272474
_cell_length_c   11.69905909
_cell_angle_alpha   89.91876855
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Si12Ru3Au
_chemical_formula_sum   'Sc12 Si12 Ru3 Au1'
_cell_volume   484.65056520
_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  0.25000000  0.87877108  0.02215101  1.0
  Sc  Sc1  1  0.25000000  0.62707628  0.51658433  1.0
  Sc  Sc2  1  0.75000000  0.12334587  0.98162265  1.0
  Sc  Sc3  1  0.75000000  0.37814969  0.47619372  1.0
  Sc  Sc4  1  0.25000000  0.92104699  0.60194222  1.0
  Sc  Sc5  1  0.25000000  0.57857669  0.10334094  1.0
  Sc  Sc6  1  0.75000000  0.07985574  0.39555501  1.0
  Sc  Sc7  1  0.75000000  0.42137509  0.89895055  1.0
  Sc  Sc8  1  0.25000000  0.66501719  0.80106242  1.0
  Sc  Sc9  1  0.25000000  0.84077083  0.29811060  1.0
  Sc  Sc10  1  0.75000000  0.34049690  0.20181107  1.0
  Sc  Sc11  1  0.75000000  0.15444695  0.70223187  1.0
  Si  Si12  1  0.25000000  0.01043663  0.82142103  1.0
  Si  Si13  1  0.25000000  0.48654803  0.32304374  1.0
  Si  Si14  1  0.75000000  0.98673074  0.17863624  1.0
  Si  Si15  1  0.75000000  0.52571128  0.67362250  1.0
  Si  Si16  1  0.25000000  0.24458789  0.84962878  1.0
  Si  Si17  1  0.25000000  0.24895148  0.34060339  1.0
  Si  Si18  1  0.75000000  0.74801771  0.15878771  1.0
  Si  Si19  1  0.75000000  0.75464291  0.65841918  1.0
  Si  Si20  1  0.25000000  0.18363729  0.53985868  1.0
  Si  Si21  1  0.25000000  0.30511450  0.04797231  1.0
  Si  Si22  1  0.75000000  0.80537593  0.45330987  1.0
  Si  Si23  1  0.75000000  0.69773767  0.95601447  1.0
  Ru  Ru24  1  0.25000000  0.10852415  0.17745752  1.0
  Ru  Ru25  1  0.75000000  0.60883804  0.32239607  1.0
  Ru  Ru26  1  0.75000000  0.89070288  0.82244725  1.0
  Au  Au27  1  0.25000000  0.38551359  0.67682483  1.0