# generated using pymatgen
data_Th3Sn4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72116096
_cell_length_b   8.72116143
_cell_length_c   8.72116141
_cell_angle_alpha   109.47122060
_cell_angle_beta   109.47122170
_cell_angle_gamma   109.47122172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sn4Au3
_chemical_formula_sum   'Th6 Sn8 Au6'
_cell_volume   510.62379597
_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  0.87500000  0.25000000  0.12500000  1.0
  Th  Th1  1  0.62500000  0.75000000  0.37500000  1.0
  Th  Th2  1  0.25000000  0.12500000  0.87500000  1.0
  Th  Th3  1  0.75000000  0.37500000  0.62500000  1.0
  Th  Th4  1  0.12500000  0.87500000  0.25000000  1.0
  Th  Th5  1  0.37500000  0.62500000  0.75000000  1.0
  Sn  Sn6  1  0.67622064  0.50000000  1.00000000  1.0
  Sn  Sn7  1  0.50000000  0.00000000  0.67622064  1.0
  Sn  Sn8  1  0.00000000  0.67622064  0.50000000  1.0
  Sn  Sn9  1  0.82377936  0.82377936  0.82377936  1.0
  Sn  Sn10  1  0.50000000  0.00000000  0.17622064  1.0
  Sn  Sn11  1  0.17622064  0.50000000  1.00000000  1.0
  Sn  Sn12  1  0.00000000  0.17622064  0.50000000  1.0
  Sn  Sn13  1  0.32377936  0.32377936  0.32377936  1.0
  Au  Au14  1  0.37500000  0.25000000  0.62500000  1.0
  Au  Au15  1  0.12500000  0.75000000  0.87500000  1.0
  Au  Au16  1  0.25000000  0.62500000  0.37500000  1.0
  Au  Au17  1  0.75000000  0.87500000  0.12500000  1.0
  Au  Au18  1  0.62500000  0.37500000  0.25000000  1.0
  Au  Au19  1  0.87500000  0.12500000  0.75000000  1.0