# generated using pymatgen
data_ThTi2(Nb2Sn3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78926175
_cell_length_b   5.79229247
_cell_length_c   9.61456130
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98268166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTi2(Nb2Sn3)2
_chemical_formula_sum   'Th1 Ti2 Nb4 Sn6'
_cell_volume   279.26051541
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.74999961  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.25000039  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.75028671  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.75028671  1.0
  Nb  Nb5  1  0.00000000  0.50000000  0.24971329  1.0
  Nb  Nb6  1  0.50000000  0.50000000  0.24971329  1.0
  Sn  Sn7  1  0.66315347  0.32630693  0.50000000  1.0
  Sn  Sn8  1  0.33684653  0.67369307  0.50000000  1.0
  Sn  Sn9  1  0.66413275  0.32826349  0.00000000  1.0
  Sn  Sn10  1  0.33586725  0.67173651  0.00000000  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.66609137  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.33390863  1.0