# generated using pymatgen
data_ScTi(SnRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74745438
_cell_length_b   7.74745396
_cell_length_c   7.74745393
_cell_angle_alpha   33.54957372
_cell_angle_beta   33.54958099
_cell_angle_gamma   33.54955865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi(SnRu2)2
_chemical_formula_sum   'Sc1 Ti1 Sn2 Ru4'
_cell_volume   126.51083945
_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
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn2  1  0.25054524  0.25054524  0.25054524  1.0
  Sn  Sn3  1  0.74945476  0.74945476  0.74945476  1.0
  Ru  Ru4  1  0.62227226  0.62227226  0.62227226  1.0
  Ru  Ru5  1  0.12721066  0.12721066  0.12721066  1.0
  Ru  Ru6  1  0.87278934  0.87278934  0.87278934  1.0
  Ru  Ru7  1  0.37772774  0.37772774  0.37772774  1.0