# generated using pymatgen
data_Th3TiSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45966125
_cell_length_b   9.45966160
_cell_length_c   6.21066409
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3TiSn5
_chemical_formula_sum   'Th6 Ti2 Sn10'
_cell_volume   481.30445139
_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
  Th  Th0  1  0.61513789  0.00000000  0.75000000  1.0
  Th  Th1  1  0.38486211  1.00000000  0.25000000  1.0
  Th  Th2  1  0.00000000  0.61513789  0.75000000  1.0
  Th  Th3  1  1.00000000  0.38486211  0.25000000  1.0
  Th  Th4  1  0.38486211  0.38486211  0.75000000  1.0
  Th  Th5  1  0.61513789  0.61513789  0.25000000  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn8  1  0.25477591  1.00000000  0.75000000  1.0
  Sn  Sn9  1  0.74522409  0.00000000  0.25000000  1.0
  Sn  Sn10  1  1.00000000  0.25477591  0.75000000  1.0
  Sn  Sn11  1  0.00000000  0.74522409  0.25000000  1.0
  Sn  Sn12  1  0.74522409  0.74522409  0.75000000  1.0
  Sn  Sn13  1  0.25477591  0.25477591  0.25000000  1.0
  Sn  Sn14  1  0.33333300  0.66666700  0.50000000  1.0
  Sn  Sn15  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn16  1  0.66666700  0.33333300  0.00000000  1.0
  Sn  Sn17  1  0.33333300  0.66666700  0.00000000  1.0