# generated using pymatgen
data_Th5Sn2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69752592
_cell_length_b   9.69441135
_cell_length_c   6.58560069
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01062138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Sn2HgBi
_chemical_formula_sum   'Th10 Sn4 Hg2 Bi2'
_cell_volume   536.11989859
_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  0.00406700  0.72625631  0.75000000  1.0
  Th  Th1  1  0.27780969  0.27374369  0.75000000  1.0
  Th  Th2  1  0.33387103  0.66960894  0.49728228  1.0
  Th  Th3  1  0.66426409  0.33039106  0.49728228  1.0
  Th  Th4  1  0.72238650  0.72219736  0.25000000  1.0
  Th  Th5  1  0.72146699  1.00000000  0.75000000  1.0
  Th  Th6  1  0.00018814  0.27780264  0.25000000  1.0
  Th  Th7  1  0.27773523  1.00000000  0.25000000  1.0
  Th  Th8  1  0.33387103  0.66960894  0.00271772  1.0
  Th  Th9  1  0.66426409  0.33039106  0.00271772  1.0
  Sn  Sn10  1  0.37922990  1.00000000  0.75000000  1.0
  Sn  Sn11  1  0.62222496  0.00000000  0.25000000  1.0
  Sn  Sn12  1  0.37825381  0.37847264  0.25000000  1.0
  Sn  Sn13  1  0.99978116  0.62152736  0.25000000  1.0
  Hg  Hg14  1  0.99933546  1.00000000  0.00201992  1.0
  Hg  Hg15  1  0.99933546  1.00000000  0.49798008  1.0
  Bi  Bi16  1  0.62122679  0.62053714  0.75000000  1.0
  Bi  Bi17  1  0.00068966  0.37946286  0.75000000  1.0