# generated using pymatgen
data_Th5HgBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77738167
_cell_length_b   9.77738114
_cell_length_c   6.60228222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5HgBi3
_chemical_formula_sum   'Th10 Hg2 Bi6'
_cell_volume   546.60028296
_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  0.72601393  0.75000000  1.0
  Th  Th1  1  0.27398607  0.27398607  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  0.72601393  0.72601393  0.25000000  1.0
  Th  Th5  1  0.72601393  1.00000000  0.75000000  1.0
  Th  Th6  1  0.00000000  0.27398607  0.25000000  1.0
  Th  Th7  1  0.27398607  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
  Hg  Hg10  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg11  1  0.00000000  0.00000000  0.50000000  1.0
  Bi  Bi12  1  0.61832540  0.61832540  0.75000000  1.0
  Bi  Bi13  1  1.00000000  0.38167460  0.75000000  1.0
  Bi  Bi14  1  0.38167460  1.00000000  0.75000000  1.0
  Bi  Bi15  1  0.61832540  0.00000000  0.25000000  1.0
  Bi  Bi16  1  0.38167460  0.38167460  0.25000000  1.0
  Bi  Bi17  1  0.00000000  0.61832540  0.25000000  1.0