# generated using pymatgen
data_ThTiNb5Sn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81264237
_cell_length_b   5.81610227
_cell_length_c   9.58248754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98031212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTiNb5Sn6
_chemical_formula_sum   'Th1 Ti1 Nb5 Sn6'
_cell_volume   280.60839370
_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  0.00105779  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.75033331  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.74987371  1.0
  Nb  Nb3  1  0.50000000  0.50000000  0.74987371  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.24921803  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.24921803  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.25057250  1.0
  Sn  Sn7  1  0.66515982  0.33031765  0.50050970  1.0
  Sn  Sn8  1  0.33484018  0.66968235  0.50050970  1.0
  Sn  Sn9  1  0.66554436  0.33108871  0.99832781  1.0
  Sn  Sn10  1  0.33445564  0.66891129  0.99832781  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.66285831  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.33932159  1.0