# generated using pymatgen
data_Sc3Sn3Ir2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68325491
_cell_length_b   7.68325511
_cell_length_c   3.25907011
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Sn3Ir2Ru
_chemical_formula_sum   'Sc3 Sn3 Ir2 Ru1'
_cell_volume   166.61527536
_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  0.61088433  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.61088433  0.00000000  1.0
  Sc  Sc2  1  0.38911567  0.38911567  0.00000000  1.0
  Sn  Sn3  1  0.28151285  1.00000000  0.50000000  1.0
  Sn  Sn4  1  1.00000000  0.28151285  0.50000000  1.0
  Sn  Sn5  1  0.71848715  0.71848715  0.50000000  1.0
  Ir  Ir6  1  0.33333300  0.66666700  0.50000000  1.0
  Ir  Ir7  1  0.66666700  0.33333300  0.50000000  1.0
  Ru  Ru8  1  0.00000000  0.00000000  0.00000000  1.0