# generated using pymatgen
data_Th(Nb3Sn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50728700
_cell_length_b   8.50728638
_cell_length_c   8.50728783
_cell_angle_alpha   40.27938098
_cell_angle_beta   40.27938648
_cell_angle_gamma   40.27938497
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Nb3Sn2)2
_chemical_formula_sum   'Th1 Nb6 Sn4'
_cell_volume   232.00782339
_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
  Nb  Nb1  1  0.59757763  0.59757763  0.11881874  1.0
  Nb  Nb2  1  0.40242137  0.88118026  0.40242337  1.0
  Nb  Nb3  1  0.88118026  0.40242137  0.40242337  1.0
  Nb  Nb4  1  0.59757863  0.11881974  0.59757663  1.0
  Nb  Nb5  1  0.11881974  0.59757863  0.59757663  1.0
  Nb  Nb6  1  0.40242237  0.40242237  0.88118026  1.0
  Sn  Sn7  1  0.13102846  0.13102846  0.13102846  1.0
  Sn  Sn8  1  0.33163351  0.33163351  0.33163351  1.0
  Sn  Sn9  1  0.66836649  0.66836649  0.66836649  1.0
  Sn  Sn10  1  0.86897154  0.86897154  0.86897154  1.0