# generated using pymatgen
data_ScTi2(Nb2Sn3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71822449
_cell_length_b   5.72495793
_cell_length_c   9.65791213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96109499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2(Nb2Sn3)2
_chemical_formula_sum   'Sc1 Ti2 Nb4 Sn6'
_cell_volume   273.91606661
_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  0.00000000  0.75079723  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.24920277  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.75157342  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.75157342  1.0
  Nb  Nb5  1  0.00000000  0.50000000  0.24842658  1.0
  Nb  Nb6  1  0.50000000  0.50000000  0.24842658  1.0
  Sn  Sn7  1  0.66262417  0.32524933  0.50000000  1.0
  Sn  Sn8  1  0.33737583  0.67475067  0.50000000  1.0
  Sn  Sn9  1  0.66360367  0.32720534  0.00000000  1.0
  Sn  Sn10  1  0.33639633  0.67279466  0.00000000  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.69525785  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.30474215  1.0