# generated using pymatgen
data_Tm2P7(IrRu5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32303604
_cell_length_b   9.38630430
_cell_length_c   3.92049907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.14406398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2P7(IrRu5)2
_chemical_formula_sum   'Tm2 P7 Ir2 Ru10'
_cell_volume   296.68233561
_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
  Tm  Tm0  1  0.66778430  0.33341997  0.50000000  1.0
  Tm  Tm1  1  0.33051964  0.66542460  0.00000000  1.0
  P  P2  1  0.60011213  0.71653532  0.50000000  1.0
  P  P3  1  0.00007765  0.00056991  0.00000000  1.0
  P  P4  1  0.27830503  0.87915065  0.50000000  1.0
  P  P5  1  0.11356631  0.40267994  0.50000000  1.0
  P  P6  1  0.88464965  0.57592634  0.00000000  1.0
  P  P7  1  0.42523407  0.30323486  0.00000000  1.0
  P  P8  1  0.69769692  0.11984867  0.00000000  1.0
  Ir  Ir9  1  0.55063132  0.94125734  0.50000000  1.0
  Ir  Ir10  1  0.38970469  0.44787051  0.50000000  1.0
  Ru  Ru11  1  0.91456390  0.12577824  0.50000000  1.0
  Ru  Ru12  1  0.21556085  0.08849686  0.50000000  1.0
  Ru  Ru13  1  0.87421440  0.79047752  0.50000000  1.0
  Ru  Ru14  1  0.72637265  0.89147546  0.00000000  1.0
  Ru  Ru15  1  0.10946250  0.83839883  0.00000000  1.0
  Ru  Ru16  1  0.16592820  0.27171791  0.00000000  1.0
  Ru  Ru17  1  0.43187551  0.06695407  0.00000000  1.0
  Ru  Ru18  1  0.93524459  0.36194708  0.00000000  1.0
  Ru  Ru19  1  0.63779363  0.56958761  0.00000000  1.0
  Ru  Ru20  1  0.05070407  0.60924728  0.50000000  1.0