# generated using pymatgen
data_Th3HgPd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85703867
_cell_length_b   5.85703824
_cell_length_c   9.64738567
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3HgPd12
_chemical_formula_sum   'Th3 Hg1 Pd12'
_cell_volume   286.61336374
_cell_formula_units_Z   1
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  0.00000000  0.49253669  1.0
  Th  Th1  1  0.00000000  0.00000000  0.00746331  1.0
  Th  Th2  1  0.66666700  0.33333300  0.75000000  1.0
  Hg  Hg3  1  0.33333300  0.66666700  0.25000000  1.0
  Pd  Pd4  1  0.49951504  0.50048496  0.49857223  1.0
  Pd  Pd5  1  0.49951504  0.99903008  0.49857223  1.0
  Pd  Pd6  1  0.00096992  0.50048496  0.49857223  1.0
  Pd  Pd7  1  0.49951504  0.50048496  0.00142777  1.0
  Pd  Pd8  1  0.49951504  0.99903008  0.00142777  1.0
  Pd  Pd9  1  0.00096992  0.50048496  0.00142777  1.0
  Pd  Pd10  1  0.82489655  0.64979310  0.25000000  1.0
  Pd  Pd11  1  0.35020690  0.17510345  0.25000000  1.0
  Pd  Pd12  1  0.82489655  0.17510345  0.25000000  1.0
  Pd  Pd13  1  0.17346889  0.34693779  0.75000000  1.0
  Pd  Pd14  1  0.65306221  0.82653111  0.75000000  1.0
  Pd  Pd15  1  0.17346889  0.82653111  0.75000000  1.0