# generated using pymatgen
data_Sc5(Sn3Ru)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67306687
_cell_length_b   9.67306659
_cell_length_c   9.67306699
_cell_angle_alpha   59.99999865
_cell_angle_beta   59.99999960
_cell_angle_gamma   60.00000264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5(Sn3Ru)6
_chemical_formula_sum   'Sc5 Sn18 Ru6'
_cell_volume   639.99645473
_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  0.00000000  1.0
  Sc  Sc1  1  0.37288309  0.37288409  0.88134973  1.0
  Sc  Sc2  1  0.37288409  0.88134873  0.37288309  1.0
  Sc  Sc3  1  0.88134873  0.37288409  0.37288309  1.0
  Sc  Sc4  1  0.37288409  0.37288309  0.37288309  1.0
  Sn  Sn5  1  0.59006771  0.59006771  0.22979786  1.0
  Sn  Sn6  1  0.59006771  0.22979786  0.59006771  1.0
  Sn  Sn7  1  0.22979786  0.59006771  0.59006771  1.0
  Sn  Sn8  1  0.59006771  0.59006771  0.59006771  1.0
  Sn  Sn9  1  0.75000000  0.75000000  0.75000000  1.0
  Sn  Sn10  1  0.99923831  0.34930121  0.65222416  1.0
  Sn  Sn11  1  0.99923831  0.99923831  0.65222416  1.0
  Sn  Sn12  1  0.34930121  0.99923831  0.65222416  1.0
  Sn  Sn13  1  0.99923831  0.65222416  0.34930121  1.0
  Sn  Sn14  1  0.34930121  0.65222416  0.99923831  1.0
  Sn  Sn15  1  0.99923831  0.65222416  0.99923831  1.0
  Sn  Sn16  1  0.65222416  0.99923831  0.99923831  1.0
  Sn  Sn17  1  0.65222416  0.34930121  0.99923831  1.0
  Sn  Sn18  1  0.65222416  0.99923831  0.34930121  1.0
  Sn  Sn19  1  0.34930121  0.99923831  0.99923831  1.0
  Sn  Sn20  1  0.99923831  0.99923831  0.34930121  1.0
  Sn  Sn21  1  0.99923831  0.34930121  0.99923831  1.0
  Sn  Sn22  1  0.25000000  0.25000000  0.25000000  1.0
  Ru  Ru23  1  0.25694772  0.25694772  0.74305228  1.0
  Ru  Ru24  1  0.74305228  0.25694772  0.74305228  1.0
  Ru  Ru25  1  0.25694772  0.74305228  0.74305228  1.0
  Ru  Ru26  1  0.74305228  0.74305228  0.25694772  1.0
  Ru  Ru27  1  0.25694772  0.74305228  0.25694772  1.0
  Ru  Ru28  1  0.74305228  0.25694772  0.25694772  1.0