# generated using pymatgen
data_Th5Sn3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64895680
_cell_length_b   9.64895604
_cell_length_c   6.61366284
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Sn3Hg
_chemical_formula_sum   'Th10 Sn6 Hg2'
_cell_volume   533.25308459
_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  0.00000000  0.72056484  0.75000000  1.0
  Th  Th1  1  0.27943516  0.27943516  0.75000000  1.0
  Th  Th2  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th3  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th4  1  0.72056484  0.72056484  0.25000000  1.0
  Th  Th5  1  0.72056484  1.00000000  0.75000000  1.0
  Th  Th6  1  1.00000000  0.27943516  0.25000000  1.0
  Th  Th7  1  0.27943516  0.00000000  0.25000000  1.0
  Th  Th8  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th9  1  0.66666700  0.33333300  0.00000000  1.0
  Sn  Sn10  1  0.62411004  0.62411004  0.75000000  1.0
  Sn  Sn11  1  1.00000000  0.37588996  0.75000000  1.0
  Sn  Sn12  1  0.37588996  0.00000000  0.75000000  1.0
  Sn  Sn13  1  0.62411004  1.00000000  0.25000000  1.0
  Sn  Sn14  1  0.37588996  0.37588996  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.62411004  0.25000000  1.0
  Hg  Hg16  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg17  1  0.00000000  0.00000000  0.50000000  1.0