# generated using pymatgen
data_Th6ZnSn5Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52114451
_cell_length_b   7.52114464
_cell_length_c   8.22584439
_cell_angle_alpha   90.00203070
_cell_angle_beta   89.99796677
_cell_angle_gamma   120.06302626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6ZnSn5Ir6
_chemical_formula_sum   'Th6 Zn1 Sn5 Ir6'
_cell_volume   402.71965547
_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  0.41238104  0.00550905  0.25406979  1.0
  Th  Th1  1  0.58042658  0.58071867  0.74311344  1.0
  Th  Th2  1  0.58071867  0.58042658  0.25688656  1.0
  Th  Th3  1  0.00558650  0.41240346  0.25406546  1.0
  Th  Th4  1  0.00550905  0.41238104  0.74593021  1.0
  Th  Th5  1  0.41240346  0.00558650  0.74593454  1.0
  Zn  Zn6  1  0.24748260  0.24748260  0.50000000  1.0
  Sn  Sn7  1  0.24857432  0.24857432  0.00000000  1.0
  Sn  Sn8  1  0.74569465  0.99690998  0.00009851  1.0
  Sn  Sn9  1  0.00483162  0.76119456  0.50008696  1.0
  Sn  Sn10  1  0.76119456  0.00483162  0.49991304  1.0
  Sn  Sn11  1  0.99690998  0.74569465  0.99990149  1.0
  Ir  Ir12  1  0.66944356  0.33613116  0.50010478  1.0
  Ir  Ir13  1  0.66154104  0.32974913  0.99983344  1.0
  Ir  Ir14  1  0.32974913  0.66154104  0.00016656  1.0
  Ir  Ir15  1  0.33613116  0.66944356  0.49989522  1.0
  Ir  Ir16  1  0.00063745  0.00078563  0.75213735  1.0
  Ir  Ir17  1  0.00078563  0.00063745  0.24786265  1.0