# generated using pymatgen
data_Tm5Ni7(PRu)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.27660622
_cell_length_b   12.19655270
_cell_length_c   3.82352710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.80617361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm5Ni7(PRu)12
_chemical_formula_sum   'Tm5 Ni7 P12 Ru12'
_cell_volume   496.76975655
_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  0.66731399  0.33456715  0.00000000  1.0
  Tm  Tm1  1  0.33404505  0.66805394  0.00000000  1.0
  Tm  Tm2  1  0.82068620  0.00177796  0.50000000  1.0
  Tm  Tm3  1  0.17893640  0.17834408  0.50000000  1.0
  Tm  Tm4  1  0.99716388  0.81865273  0.50000000  1.0
  Ni  Ni5  1  0.63103067  0.80758839  0.00000000  1.0
  Ni  Ni6  1  0.18178872  0.37009672  0.00000000  1.0
  Ni  Ni7  1  0.36796654  0.17494515  0.00000000  1.0
  Ni  Ni8  1  0.19234508  0.82551704  0.00000000  1.0
  Ni  Ni9  1  0.80509672  0.62459834  0.00000000  1.0
  Ni  Ni10  1  0.86925321  0.51297830  0.50000000  1.0
  Ni  Ni11  1  0.99898099  0.99867995  0.00000000  1.0
  P  P12  1  0.63694719  0.00124122  0.00000000  1.0
  P  P13  1  0.36410849  0.36266072  0.00000000  1.0
  P  P14  1  0.99842657  0.63949206  0.00000000  1.0
  P  P15  1  0.68557541  0.51815312  0.50000000  1.0
  P  P16  1  0.83501752  0.31549697  0.50000000  1.0
  P  P17  1  0.32072697  0.83645778  0.50000000  1.0
  P  P18  1  0.51466635  0.67622152  0.50000000  1.0
  P  P19  1  0.17257998  0.00004344  0.00000000  1.0
  P  P20  1  0.82512430  0.82394254  0.00000000  1.0
  P  P21  1  0.00273145  0.17597439  0.00000000  1.0
  P  P22  1  0.48114010  0.16300577  0.50000000  1.0
  P  P23  1  0.16511383  0.48984526  0.50000000  1.0
  Ru  Ru24  1  0.48167197  0.35112445  0.50000000  1.0
  Ru  Ru25  1  0.64133932  0.12673947  0.50000000  1.0
  Ru  Ru26  1  0.12568288  0.65374959  0.50000000  1.0
  Ru  Ru27  1  0.34902402  0.47829555  0.50000000  1.0
  Ru  Ru28  1  0.51959805  0.86717646  0.50000000  1.0
  Ru  Ru29  1  0.71751714  0.72074735  0.50000000  1.0
  Ru  Ru30  1  0.01066694  0.28829512  0.50000000  1.0
  Ru  Ru31  1  0.44556158  0.99396656  0.00000000  1.0
  Ru  Ru32  1  0.54949101  0.54943686  0.00000000  1.0
  Ru  Ru33  1  0.00688658  0.45531481  0.00000000  1.0
  Ru  Ru34  1  0.82615853  0.19758650  0.00000000  1.0
  Ru  Ru35  1  0.27963536  0.99923376  0.50000000  1.0