# generated using pymatgen
data_Th5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72693381
_cell_length_b   9.72693214
_cell_length_c   6.57146812
_cell_angle_alpha   90.00008967
_cell_angle_beta   89.99978637
_cell_angle_gamma   120.00023865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Sn4
_chemical_formula_sum   'Th10 Sn8'
_cell_volume   538.44808838
_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  0.33333454  0.66666644  -0.00000049  1.0
  Th  Th1  1  0.66666622  0.33333212  0.50000046  1.0
  Th  Th2  1  0.66666522  0.33333312  -0.00000046  1.0
  Th  Th3  1  0.33333354  0.66666744  0.49999949  1.0
  Th  Th4  1  0.27868672  0.00004130  0.24999900  1.0
  Th  Th5  1  0.27868705  0.27864480  0.75000000  1.0
  Th  Th6  1  -0.00004211  0.72131252  0.75000100  1.0
  Th  Th7  1  -0.00004206  0.27864447  0.24999900  1.0
  Th  Th8  1  0.72135539  0.72131248  0.25000000  1.0
  Th  Th9  1  0.72135519  0.00004244  0.75000100  1.0
  Sn  Sn10  1  0.00000003  0.00000039  -0.00000037  1.0
  Sn  Sn11  1  0.00000003  0.00000039  0.50000037  1.0
  Sn  Sn12  1  0.61864374  0.00006514  0.25000100  1.0
  Sn  Sn13  1  0.61864366  0.61857892  0.75000000  1.0
  Sn  Sn14  1  -0.00006484  0.38135606  0.74999900  1.0
  Sn  Sn15  1  -0.00006317  0.61858163  0.25000100  1.0
  Sn  Sn16  1  0.38142106  0.38135626  0.25000000  1.0
  Sn  Sn17  1  0.38141880  0.00006308  0.74999900  1.0