# generated using pymatgen
data_Sc3Sn3HgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73568996
_cell_length_b   7.73568926
_cell_length_c   6.85022961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Sn3HgRu2
_chemical_formula_sum   'Sc6 Sn6 Hg2 Ru4'
_cell_volume   355.00451218
_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  0.37378564  0.96936416  0.25000000  1.0
  Sc  Sc1  1  0.59557852  0.62621436  0.25000000  1.0
  Sc  Sc2  1  0.03063584  0.40442148  0.25000000  1.0
  Sc  Sc3  1  0.37330722  0.96870566  0.75000000  1.0
  Sc  Sc4  1  0.59539843  0.62669278  0.75000000  1.0
  Sc  Sc5  1  0.03129434  0.40460157  0.75000000  1.0
  Sn  Sn6  1  0.72689750  0.99741557  0.00012587  1.0
  Sn  Sn7  1  0.27051907  0.27310250  0.49987413  1.0
  Sn  Sn8  1  0.00258443  0.72948093  0.49987413  1.0
  Sn  Sn9  1  0.00258443  0.72948093  0.00012587  1.0
  Sn  Sn10  1  0.27051907  0.27310250  0.00012587  1.0
  Sn  Sn11  1  0.72689750  0.99741557  0.49987413  1.0
  Hg  Hg12  1  0.66666700  0.33333300  0.99827830  1.0
  Hg  Hg13  1  0.66666700  0.33333300  0.50172170  1.0
  Ru  Ru14  1  0.33333300  0.66666700  0.00027388  1.0
  Ru  Ru15  1  0.33333300  0.66666700  0.49972612  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.25000000  1.0
  Ru  Ru17  1  0.00000000  0.00000000  0.75000000  1.0