# generated using pymatgen
data_Sc5AlRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23897773
_cell_length_b   3.23897773
_cell_length_c   16.21946010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5AlRu4
_chemical_formula_sum   'Sc5 Al1 Ru4'
_cell_volume   170.15797812
_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  0.00000000  0.00000000  0.88583263  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.11416737  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.30587946  1.0
  Sc  Sc3  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.69412054  1.0
  Al  Al5  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru6  1  0.50000000  0.50000000  0.20172940  1.0
  Ru  Ru7  1  0.50000000  0.50000000  0.40075458  1.0
  Ru  Ru8  1  0.50000000  0.50000000  0.59924542  1.0
  Ru  Ru9  1  0.50000000  0.50000000  0.79827060  1.0