# generated using pymatgen
data_Y19Th(Ir2Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84946123
_cell_length_b   10.82340526
_cell_length_c   6.45863297
_cell_angle_alpha   90.07934626
_cell_angle_beta   89.72426688
_cell_angle_gamma   89.93237225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y19Th(Ir2Ru)4
_chemical_formula_sum   'Y19 Th1 Ir8 Ru4'
_cell_volume   758.41505629
_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
  Y  Y0  1  0.29236094  0.91031709  0.88274034  1.0
  Y  Y1  1  0.70556131  0.08662700  0.88766922  1.0
  Y  Y2  1  0.70605810  0.91123525  0.38700001  1.0
  Y  Y3  1  0.58646041  0.79356756  0.88814982  1.0
  Y  Y4  1  0.59464792  0.20889104  0.38496010  1.0
  Y  Y5  1  0.41417954  0.78752991  0.38583605  1.0
  Y  Y6  1  0.41356951  0.20822874  0.88433360  1.0
  Y  Y7  1  0.20558324  0.41385032  0.61323770  1.0
  Y  Y8  1  0.20480572  0.58658558  0.11435649  1.0
  Y  Y9  1  0.79502198  0.41501294  0.11233800  1.0
  Y  Y10  1  0.79394532  0.58846281  0.61528918  1.0
  Y  Y11  1  0.91341762  0.70738873  0.11498491  1.0
  Y  Y12  1  0.91227649  0.29434227  0.61210745  1.0
  Y  Y13  1  0.08708811  0.70561033  0.61319456  1.0
  Y  Y14  1  0.08575333  0.29455232  0.11099314  1.0
  Y  Y15  1  0.99660059  0.99845199  0.49871101  1.0
  Y  Y16  1  0.00000571  0.00029697  0.99823682  1.0
  Y  Y17  1  0.49988560  0.49963369  0.00502000  1.0
  Y  Y18  1  0.50165251  0.49863072  0.50574015  1.0
  Th  Th19  1  0.29793214  0.08696891  0.38700742  1.0
  Ir  Ir20  1  0.84828534  0.15374665  0.24600949  1.0
  Ir  Ir21  1  0.84602149  0.84802832  0.75208912  1.0
  Ir  Ir22  1  0.15289179  0.15194236  0.74046061  1.0
  Ir  Ir23  1  0.15567402  0.85032363  0.25225991  1.0
  Ir  Ir24  1  0.65292280  0.34690376  0.75349218  1.0
  Ir  Ir25  1  0.65209923  0.65266834  0.25063308  1.0
  Ir  Ir26  1  0.34813263  0.34505063  0.25326453  1.0
  Ir  Ir27  1  0.34790293  0.65086535  0.75266394  1.0
  Ru  Ru28  1  0.49304806  0.00167311  0.14145564  1.0
  Ru  Ru29  1  0.49678799  0.00083394  0.63034682  1.0
  Ru  Ru30  1  0.99993542  0.50088149  0.86242254  1.0
  Ru  Ru31  1  0.99949424  0.50090022  0.36299817  1.0