# generated using pymatgen
data_Sc3Sn3Pd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60917971
_cell_length_b   7.60917915
_cell_length_c   6.86552656
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Sn3Pd2Ru
_chemical_formula_sum   'Sc6 Sn6 Pd4 Ru2'
_cell_volume   344.25493867
_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  0.38413666  0.00107517  0.25000000  1.0
  Sc  Sc1  1  0.61693751  0.61586334  0.25000000  1.0
  Sc  Sc2  1  0.99892483  0.38306249  0.25000000  1.0
  Sc  Sc3  1  0.38306249  0.99892483  0.75000000  1.0
  Sc  Sc4  1  0.61586334  0.61693751  0.75000000  1.0
  Sc  Sc5  1  0.00107517  0.38413666  0.75000000  1.0
  Sn  Sn6  1  0.72069443  1.00000000  0.00000000  1.0
  Sn  Sn7  1  0.27930557  0.27930557  0.50000000  1.0
  Sn  Sn8  1  1.00000000  0.72069443  0.50000000  1.0
  Sn  Sn9  1  1.00000000  0.72069443  0.00000000  1.0
  Sn  Sn10  1  0.27930557  0.27930557  0.00000000  1.0
  Sn  Sn11  1  0.72069443  1.00000000  0.50000000  1.0
  Pd  Pd12  1  0.33333300  0.66666700  0.00216665  1.0
  Pd  Pd13  1  0.33333300  0.66666700  0.49783335  1.0
  Pd  Pd14  1  0.66666700  0.33333300  0.99783335  1.0
  Pd  Pd15  1  0.66666700  0.33333300  0.50216665  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.25000000  1.0
  Ru  Ru17  1  0.00000000  0.00000000  0.75000000  1.0