# generated using pymatgen
data_Th3Sn3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56667324
_cell_length_b   6.56667292
_cell_length_c   10.42177153
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.05338281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sn3Hg2
_chemical_formula_sum   'Th6 Sn6 Hg4'
_cell_volume   437.78679341
_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  0.63165446  0.63165446  0.25000000  1.0
  Th  Th1  1  0.36834554  0.36834554  0.75000000  1.0
  Th  Th2  1  0.80054329  0.19945671  0.00000000  1.0
  Th  Th3  1  0.19945671  0.80054329  0.00000000  1.0
  Th  Th4  1  0.19945671  0.80054329  0.50000000  1.0
  Th  Th5  1  0.80054329  0.19945671  0.50000000  1.0
  Sn  Sn6  1  0.07758090  0.49332464  0.25000000  1.0
  Sn  Sn7  1  0.92241910  0.50667536  0.75000000  1.0
  Sn  Sn8  1  0.49332464  0.07758090  0.25000000  1.0
  Sn  Sn9  1  0.50667536  0.92241910  0.75000000  1.0
  Sn  Sn10  1  0.02339728  0.02339728  0.25000000  1.0
  Sn  Sn11  1  0.97660272  0.97660272  0.75000000  1.0
  Hg  Hg12  1  0.31352092  0.31352092  0.03803519  1.0
  Hg  Hg13  1  0.68647908  0.68647908  0.96196481  1.0
  Hg  Hg14  1  0.68647908  0.68647908  0.53803519  1.0
  Hg  Hg15  1  0.31352092  0.31352092  0.46196481  1.0