# generated using pymatgen
data_HfTh(SnIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39819843
_cell_length_b   7.39819632
_cell_length_c   7.92759889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTh(SnIr)2
_chemical_formula_sum   'Hf3 Th3 Sn6 Ir6'
_cell_volume   375.77171372
_cell_formula_units_Z   3
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
  Hf  Hf0  1  0.99988897  0.39220445  0.25000000  1.0
  Hf  Hf1  1  0.60779555  0.60768552  0.25000000  1.0
  Hf  Hf2  1  0.39231448  0.00011103  0.25000000  1.0
  Th  Th3  1  0.99999740  0.40823284  0.75000000  1.0
  Th  Th4  1  0.59176716  0.59176357  0.75000000  1.0
  Th  Th5  1  0.40823643  0.00000260  0.75000000  1.0
  Sn  Sn6  1  0.26146720  0.26152556  0.48487157  1.0
  Sn  Sn7  1  0.00005636  0.73853280  0.48487157  1.0
  Sn  Sn8  1  0.00005636  0.73853280  0.01512843  1.0
  Sn  Sn9  1  0.73847444  0.99994364  0.48487157  1.0
  Sn  Sn10  1  0.73847444  0.99994364  0.01512843  1.0
  Sn  Sn11  1  0.26146720  0.26152556  0.01512843  1.0
  Ir  Ir12  1  0.33333300  0.66666700  0.45795814  1.0
  Ir  Ir13  1  0.66666700  0.33333300  0.45825896  1.0
  Ir  Ir14  1  0.33333300  0.66666700  0.04204186  1.0
  Ir  Ir15  1  0.00000000  0.00000000  0.75000000  1.0
  Ir  Ir16  1  0.00000000  0.00000000  0.25000000  1.0
  Ir  Ir17  1  0.66666700  0.33333300  0.04174104  1.0