# generated using pymatgen
data_Tm2P7(IrRu3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36749139
_cell_length_b   9.36749233
_cell_length_c   3.91078720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2P7(IrRu3)3
_chemical_formula_sum   'Tm2 P7 Ir3 Ru9'
_cell_volume   297.19496679
_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  0.66666700  0.33333300  0.50000000  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.00000000  1.0
  P  P2  1  0.00000000  0.00000000  0.00000000  1.0
  P  P3  1  0.41974677  0.29861409  0.00000000  1.0
  P  P4  1  0.87886932  0.58025323  0.00000000  1.0
  P  P5  1  0.70138591  0.12113068  0.00000000  1.0
  P  P6  1  0.11576060  0.40048174  0.50000000  1.0
  P  P7  1  0.28472014  0.88423940  0.50000000  1.0
  P  P8  1  0.59951826  0.71527986  0.50000000  1.0
  Ir  Ir9  1  0.38783991  0.44728010  0.50000000  1.0
  Ir  Ir10  1  0.05944018  0.61216009  0.50000000  1.0
  Ir  Ir11  1  0.55271990  0.94055982  0.50000000  1.0
  Ru  Ru12  1  0.43416308  0.06568464  0.00000000  1.0
  Ru  Ru13  1  0.63152056  0.56583692  0.00000000  1.0
  Ru  Ru14  1  0.93431536  0.36847944  0.00000000  1.0
  Ru  Ru15  1  0.16205888  0.27151842  0.00000000  1.0
  Ru  Ru16  1  0.10945954  0.83794112  0.00000000  1.0
  Ru  Ru17  1  0.72848158  0.89054046  0.00000000  1.0
  Ru  Ru18  1  0.22027569  0.08976277  0.50000000  1.0
  Ru  Ru19  1  0.86948708  0.77972431  0.50000000  1.0
  Ru  Ru20  1  0.91023723  0.13051292  0.50000000  1.0