# generated using pymatgen
data_Th2P7(IrRu5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51042500
_cell_length_b   9.54751710
_cell_length_c   3.90593433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.07664565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2P7(IrRu5)2
_chemical_formula_sum   'Th2 P7 Ir2 Ru10'
_cell_volume   306.90926628
_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  0.66809106  0.33422831  0.50000000  1.0
  Th  Th1  1  0.33009342  0.66550860  0.00000000  1.0
  P  P2  1  0.60402471  0.70992416  0.50000000  1.0
  P  P3  1  0.99885580  0.00000295  0.00000000  1.0
  P  P4  1  0.28547356  0.88996518  0.50000000  1.0
  P  P5  1  0.10346185  0.39809196  0.50000000  1.0
  P  P6  1  0.89208639  0.59478127  0.00000000  1.0
  P  P7  1  0.40629725  0.29112241  0.00000000  1.0
  P  P8  1  0.70890117  0.11344856  0.00000000  1.0
  Ir  Ir9  1  0.55404841  0.93667233  0.50000000  1.0
  Ir  Ir10  1  0.38220119  0.44517934  0.50000000  1.0
  Ru  Ru11  1  0.89632212  0.13385881  0.50000000  1.0
  Ru  Ru12  1  0.24252141  0.10605242  0.50000000  1.0
  Ru  Ru13  1  0.86530080  0.76401094  0.50000000  1.0
  Ru  Ru14  1  0.73095222  0.88403553  0.00000000  1.0
  Ru  Ru15  1  0.11669839  0.85091514  0.00000000  1.0
  Ru  Ru16  1  0.15320847  0.26656366  0.00000000  1.0
  Ru  Ru17  1  0.44171786  0.06629157  0.00000000  1.0
  Ru  Ru18  1  0.93477908  0.37210618  0.00000000  1.0
  Ru  Ru19  1  0.62725116  0.55958063  0.00000000  1.0
  Ru  Ru20  1  0.05771367  0.61766006  0.50000000  1.0