# generated using pymatgen
data_Th3Zn(Sn2Au)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68088970
_cell_length_b   8.68089023
_cell_length_c   8.68089016
_cell_angle_alpha   109.19156967
_cell_angle_beta   110.03197592
_cell_angle_gamma   109.19157214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Zn(Sn2Au)2
_chemical_formula_sum   'Th6 Zn2 Sn8 Au4'
_cell_volume   503.54658652
_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  0.12803626  0.87803626  1.0
  Th  Th3  1  0.75000000  0.37196374  0.62196374  1.0
  Th  Th4  1  0.12196374  0.87196374  0.25000000  1.0
  Th  Th5  1  0.37803626  0.62803626  0.75000000  1.0
  Zn  Zn6  1  0.37500000  0.25000000  0.62500000  1.0
  Zn  Zn7  1  0.12500000  0.75000000  0.87500000  1.0
  Sn  Sn8  1  0.67130794  0.49569091  0.99235419  1.0
  Sn  Sn9  1  0.49666328  0.00430909  0.67561703  1.0
  Sn  Sn10  1  0.00333672  0.67895374  0.50764581  1.0
  Sn  Sn11  1  0.82869206  0.82104626  0.82438297  1.0
  Sn  Sn12  1  0.49235419  0.99569091  0.17130794  1.0
  Sn  Sn13  1  0.17561703  0.50430909  0.99666328  1.0
  Sn  Sn14  1  0.00764581  0.17895374  0.50333672  1.0
  Sn  Sn15  1  0.32438297  0.32104626  0.32869206  1.0
  Au  Au16  1  0.25000000  0.62409400  0.37409400  1.0
  Au  Au17  1  0.75000000  0.87590600  0.12590600  1.0
  Au  Au18  1  0.62590600  0.37590600  0.25000000  1.0
  Au  Au19  1  0.87409400  0.12409400  0.75000000  1.0