# generated using pymatgen
data_Sc12Al2Ni3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78043757
_cell_length_b   7.78043823
_cell_length_c   7.78043812
_cell_angle_alpha   111.86726164
_cell_angle_beta   110.58346387
_cell_angle_gamma   106.01988804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Al2Ni3Ru
_chemical_formula_sum   'Sc12 Al2 Ni3 Ru1'
_cell_volume   361.54113411
_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  0.04689136  0.74516187  0.30172849  1.0
  Sc  Sc1  1  0.96564849  0.26370994  0.70193855  1.0
  Sc  Sc2  1  0.55656562  0.25483813  0.30172849  1.0
  Sc  Sc3  1  0.43822960  0.73629006  0.70193855  1.0
  Sc  Sc4  1  0.67819072  0.87403929  0.19823423  1.0
  Sc  Sc5  1  0.32419594  0.52004350  0.19823423  1.0
  Sc  Sc6  1  0.32419594  0.12596071  0.80415243  1.0
  Sc  Sc7  1  0.67819072  0.47995650  0.80415243  1.0
  Sc  Sc8  1  0.18259245  0.21986363  0.40245708  1.0
  Sc  Sc9  1  0.81368079  0.22071936  0.03440015  1.0
  Sc  Sc10  1  0.18259245  0.78013637  0.96272882  1.0
  Sc  Sc11  1  0.81368079  0.77928064  0.59296143  1.0
  Al  Al12  1  0.99386557  0.50000000  0.49386557  1.0
  Al  Al13  1  0.50283238  0.00000000  0.50283238  1.0
  Ni  Ni14  1  0.33998448  0.50000000  0.83998448  1.0
  Ni  Ni15  1  0.87642647  0.87817199  0.99825447  1.0
  Ni  Ni16  1  0.12008248  0.12182801  0.99825447  1.0
  Ru  Ru17  1  0.66215174  0.50000000  0.16215174  1.0