# generated using pymatgen
data_Th2P7(IrRu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62484788
_cell_length_b   9.62472707
_cell_length_c   3.90299128
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00062165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2P7(IrRu)6
_chemical_formula_sum   'Th2 P7 Ir6 Ru6'
_cell_volume   313.11782303
_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  0.33334376  0.66669768  0.00000000  1.0
  Th  Th1  1  0.99999962  0.00000667  0.50000000  1.0
  P  P2  1  0.77935535  0.04882153  0.00000000  1.0
  P  P3  1  0.95119135  0.73053579  0.00000000  1.0
  P  P4  1  0.26945057  0.22062733  0.00000000  1.0
  P  P5  1  0.38063289  0.93696479  0.50000000  1.0
  P  P6  1  0.06305027  0.44366802  0.50000000  1.0
  P  P7  1  0.55632074  0.61938740  0.50000000  1.0
  P  P8  1  0.66666854  0.33334105  0.00000000  1.0
  Ir  Ir9  1  0.04918135  0.26623860  0.00000000  1.0
  Ir  Ir10  1  0.73374789  0.78293332  0.00000000  1.0
  Ir  Ir11  1  0.21707818  0.95081660  0.00000000  1.0
  Ir  Ir12  1  0.59811207  0.88400698  0.50000000  1.0
  Ir  Ir13  1  0.11601730  0.71412161  0.50000000  1.0
  Ir  Ir14  1  0.28588050  0.40190631  0.50000000  1.0
  Ru  Ru15  1  0.54766753  0.06475636  0.00000000  1.0
  Ru  Ru16  1  0.93527290  0.48290581  0.00000000  1.0
  Ru  Ru17  1  0.51705346  0.45232628  0.00000000  1.0
  Ru  Ru18  1  0.81619604  0.21426749  0.50000000  1.0
  Ru  Ru19  1  0.78569277  0.60187371  0.50000000  1.0
  Ru  Ru20  1  0.39808693  0.18379865  0.50000000  1.0