# generated using pymatgen
data_Sc2ReRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17203789
_cell_length_b   5.03326646
_cell_length_c   8.71373036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.11632967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReRu3
_chemical_formula_sum   'Sc4 Re2 Ru6'
_cell_volume   198.17326053
_cell_formula_units_Z   2
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  0.32867378  0.65993818  0.43355745  1.0
  Sc  Sc1  1  0.67132622  0.33126341  0.93355745  1.0
  Sc  Sc2  1  0.67132622  0.33126341  0.56644255  1.0
  Sc  Sc3  1  0.32867378  0.65993818  0.06644255  1.0
  Re  Re4  1  0.16586295  0.83744158  0.75000000  1.0
  Re  Re5  1  0.83413705  0.67157963  0.25000000  1.0
  Ru  Ru6  1  0.65289049  0.83539968  0.75000000  1.0
  Ru  Ru7  1  0.34710951  0.18250919  0.25000000  1.0
  Ru  Ru8  1  0.83132920  0.18394576  0.25000000  1.0
  Ru  Ru9  1  0.16867080  0.35261557  0.75000000  1.0
  Ru  Ru10  1  0.00000000  0.97705221  0.50000000  1.0
  Ru  Ru11  1  0.00000000  0.97705221  0.00000000  1.0