# generated using pymatgen
data_ThTaNb5Sn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81599011
_cell_length_b   5.81111967
_cell_length_c   9.61023359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02772876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTaNb5Sn6
_chemical_formula_sum   'Th1 Ta1 Nb5 Sn6'
_cell_volume   281.20733098
_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  0.99960106  1.0
  Ta  Ta1  1  0.50000000  0.00000000  0.75150137  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.75150983  1.0
  Nb  Nb3  1  0.50000000  0.50000000  0.75150983  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.24875838  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.24875838  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.24868212  1.0
  Sn  Sn7  1  0.66619156  0.33238212  0.50026131  1.0
  Sn  Sn8  1  0.33380844  0.66761788  0.50026131  1.0
  Sn  Sn9  1  0.66655145  0.33310091  0.99983387  1.0
  Sn  Sn10  1  0.33344855  0.66689909  0.99983387  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.65589089  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.34359878  1.0