# generated using pymatgen
data_Sc12Tc3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79889295
_cell_length_b   7.01004048
_cell_length_c   8.45299136
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93254051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Tc3Ru
_chemical_formula_sum   'Sc12 Tc3 Ru1'
_cell_volume   343.61787016
_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  0.34754895  0.67902020  0.06316953  1.0
  Sc  Sc1  1  0.15257805  0.17577603  0.43732886  1.0
  Sc  Sc2  1  0.65161028  0.32200477  0.56280213  1.0
  Sc  Sc3  1  0.84586579  0.82378006  0.93785869  1.0
  Sc  Sc4  1  0.65161028  0.32200477  0.93719787  1.0
  Sc  Sc5  1  0.84586579  0.82378006  0.56214131  1.0
  Sc  Sc6  1  0.34754895  0.67902020  0.43683047  1.0
  Sc  Sc7  1  0.15257805  0.17577603  0.06267114  1.0
  Sc  Sc8  1  0.87925126  0.54062510  0.25000000  1.0
  Sc  Sc9  1  0.62081545  0.04236721  0.25000000  1.0
  Sc  Sc10  1  0.12464657  0.45737114  0.75000000  1.0
  Sc  Sc11  1  0.37909446  0.95676128  0.75000000  1.0
  Tc  Tc12  1  0.04166367  0.88196689  0.25000000  1.0
  Tc  Tc13  1  0.45648165  0.38566213  0.25000000  1.0
  Tc  Tc14  1  0.95957368  0.11710294  0.75000000  1.0
  Ru  Ru15  1  0.54326913  0.61698321  0.75000000  1.0