# generated using pymatgen
data_ThSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38434138
_cell_length_b   4.48654337
_cell_length_c   9.00803905
_cell_angle_alpha   104.42010351
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSn2
_chemical_formula_sum   'Th2 Sn4'
_cell_volume   171.61065691
_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  0.75000000  0.10487914  0.20975828  1.0
  Th  Th1  1  0.25000000  0.89512086  0.79024172  1.0
  Sn  Sn2  1  0.75000000  0.74955178  0.49910555  1.0
  Sn  Sn3  1  0.25000000  0.25044822  0.50089445  1.0
  Sn  Sn4  1  0.75000000  0.44157205  0.88314711  1.0
  Sn  Sn5  1  0.25000000  0.55842795  0.11685289  1.0