# generated using pymatgen
data_ZrSc11(Si3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00490799
_cell_length_b   10.26312223
_cell_length_c   11.69953596
_cell_angle_alpha   90.07479963
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc11(Si3Ru)4
_chemical_formula_sum   'Zr1 Sc11 Si12 Ru4'
_cell_volume   480.88398174
_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
  Zr  Zr0  1  0.25000000  0.87602253  0.01949868  1.0
  Sc  Sc1  1  0.25000000  0.62254398  0.51987116  1.0
  Sc  Sc2  1  0.75000000  0.12474465  0.98093314  1.0
  Sc  Sc3  1  0.75000000  0.37737912  0.48038195  1.0
  Sc  Sc4  1  0.25000000  0.92121104  0.60489021  1.0
  Sc  Sc5  1  0.25000000  0.57871190  0.10518289  1.0
  Sc  Sc6  1  0.75000000  0.07854944  0.39407748  1.0
  Sc  Sc7  1  0.75000000  0.42136763  0.89555897  1.0
  Sc  Sc8  1  0.25000000  0.65963489  0.79765000  1.0
  Sc  Sc9  1  0.25000000  0.83884140  0.29966156  1.0
  Sc  Sc10  1  0.75000000  0.33949048  0.20194187  1.0
  Sc  Sc11  1  0.75000000  0.16039069  0.70177415  1.0
  Si  Si12  1  0.25000000  0.01491210  0.82320936  1.0
  Si  Si13  1  0.25000000  0.48607927  0.32243093  1.0
  Si  Si14  1  0.75000000  0.98518676  0.17566595  1.0
  Si  Si15  1  0.75000000  0.51376703  0.67813869  1.0
  Si  Si16  1  0.25000000  0.25245895  0.84135829  1.0
  Si  Si17  1  0.25000000  0.24796303  0.34170257  1.0
  Si  Si18  1  0.75000000  0.74899628  0.15837351  1.0
  Si  Si19  1  0.75000000  0.75207976  0.65822177  1.0
  Si  Si20  1  0.25000000  0.19467983  0.54478908  1.0
  Si  Si21  1  0.25000000  0.30607227  0.04530758  1.0
  Si  Si22  1  0.75000000  0.80469981  0.45543230  1.0
  Si  Si23  1  0.75000000  0.69488410  0.95515452  1.0
  Ru  Ru24  1  0.25000000  0.39102569  0.67693757  1.0
  Ru  Ru25  1  0.25000000  0.10842626  0.17630582  1.0
  Ru  Ru26  1  0.75000000  0.60954547  0.32224348  1.0
  Ru  Ru27  1  0.75000000  0.89033864  0.82331152  1.0