# generated using pymatgen
data_Sc12AlNi4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70812568
_cell_length_b   7.70812689
_cell_length_c   7.70812509
_cell_angle_alpha   111.04022113
_cell_angle_beta   110.80954322
_cell_angle_gamma   106.60153673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12AlNi4Ru
_chemical_formula_sum   'Sc12 Al1 Ni4 Ru1'
_cell_volume   351.89249021
_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  0.42237635  0.22886987  0.19350748  1.0
  Sc  Sc1  1  0.57762365  0.77113013  0.80649252  1.0
  Sc  Sc2  1  0.03536239  0.22886987  0.80649252  1.0
  Sc  Sc3  1  0.96463761  0.77113013  0.19350748  1.0
  Sc  Sc4  1  0.18195384  0.27786569  0.45981853  1.0
  Sc  Sc5  1  0.81804616  0.72213431  0.54018147  1.0
  Sc  Sc6  1  0.18195384  0.72213431  0.90408815  1.0
  Sc  Sc7  1  0.81804616  0.27786569  0.09591185  1.0
  Sc  Sc8  1  0.32296042  0.62085816  0.29789774  1.0
  Sc  Sc9  1  0.67703958  0.37914184  0.70210226  1.0
  Sc  Sc10  1  0.32296042  0.02506267  0.70210226  1.0
  Sc  Sc11  1  0.67703958  0.97493733  0.29789774  1.0
  Al  Al12  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni13  1  0.35422867  0.00000000  0.35422867  1.0
  Ni  Ni14  1  0.64577133  1.00000000  0.64577133  1.0
  Ni  Ni15  1  0.12379420  0.62379420  0.50000000  1.0
  Ni  Ni16  1  0.87620580  0.37620580  0.50000000  1.0
  Ru  Ru17  1  0.00000000  0.00000000  0.00000000  1.0