# generated using pymatgen
data_PaTiNb5Sn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77627875
_cell_length_b   5.77891517
_cell_length_c   9.54356949
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01509247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaTiNb5Sn6
_chemical_formula_sum   'Pa1 Ti1 Nb5 Sn6'
_cell_volume   275.84801681
_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
  Pa  Pa0  1  0.00000000  0.00000000  0.99986102  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.75280002  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.75319854  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.75319854  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.24761081  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.24699152  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.24699152  1.0
  Sn  Sn7  1  0.66918680  0.33459290  0.50087566  1.0
  Sn  Sn8  1  0.33081320  0.66540710  0.50087566  1.0
  Sn  Sn9  1  0.66962784  0.33481342  0.99831159  1.0
  Sn  Sn10  1  0.33037216  0.66518658  0.99831159  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.66170983  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.33926269  1.0