# generated using pymatgen
data_Th6Sn6IrRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55322050
_cell_length_b   7.55322058
_cell_length_c   8.23918264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6Sn6IrRh5
_chemical_formula_sum   'Th6 Sn6 Ir1 Rh5'
_cell_volume   407.07936576
_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  0.58690330  0.00070379  0.75041736  1.0
  Th  Th1  1  0.41380149  0.41309670  0.75041736  1.0
  Th  Th2  1  0.99929621  0.58619851  0.75041736  1.0
  Th  Th3  1  0.58719814  0.00132085  0.24954291  1.0
  Th  Th4  1  0.41412171  0.41280186  0.24954291  1.0
  Th  Th5  1  0.99867915  0.58587829  0.24954291  1.0
  Sn  Sn6  1  0.24829394  0.99801483  0.99996025  1.0
  Sn  Sn7  1  0.75038922  0.75104032  0.49998179  1.0
  Sn  Sn8  1  0.00065010  0.24961078  0.49998179  1.0
  Sn  Sn9  1  0.00198517  0.25027912  0.99996025  1.0
  Sn  Sn10  1  0.74972088  0.75170606  0.99996025  1.0
  Sn  Sn11  1  0.24895968  0.99934990  0.49998179  1.0
  Ir  Ir12  1  0.66666700  0.33333300  0.99960460  1.0
  Rh  Rh13  1  0.66666700  0.33333300  0.50077370  1.0
  Rh  Rh14  1  0.33333300  0.66666700  0.00055166  1.0
  Rh  Rh15  1  0.33333300  0.66666700  0.49944867  1.0
  Rh  Rh16  1  0.00000000  0.00000000  0.75074935  1.0
  Rh  Rh17  1  0.00000000  0.00000000  0.24916508  1.0