# generated using pymatgen
data_Tm19ThIrRu11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62020481
_cell_length_b   10.58779195
_cell_length_c   6.29212933
_cell_angle_alpha   90.06803672
_cell_angle_beta   89.73976502
_cell_angle_gamma   89.99669050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm19ThIrRu11
_chemical_formula_sum   'Tm19 Th1 Ir1 Ru11'
_cell_volume   707.50765756
_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  0.29265591  0.91213940  0.87784165  1.0
  Tm  Tm1  1  0.71053173  0.08503792  0.87888072  1.0
  Tm  Tm2  1  0.70851598  0.91196285  0.37845441  1.0
  Tm  Tm3  1  0.58703955  0.79193570  0.88055608  1.0
  Tm  Tm4  1  0.59442874  0.20853547  0.37824436  1.0
  Tm  Tm5  1  0.41673625  0.78808718  0.38032729  1.0
  Tm  Tm6  1  0.41666603  0.20985183  0.87998744  1.0
  Tm  Tm7  1  0.20626809  0.41516451  0.62088802  1.0
  Tm  Tm8  1  0.20516882  0.58681586  0.11968562  1.0
  Tm  Tm9  1  0.79169271  0.41611823  0.12024564  1.0
  Tm  Tm10  1  0.79116747  0.58625126  0.62227766  1.0
  Tm  Tm11  1  0.91455476  0.70838581  0.12320755  1.0
  Tm  Tm12  1  0.91248391  0.29257038  0.61763601  1.0
  Tm  Tm13  1  0.08466684  0.70770585  0.62023724  1.0
  Tm  Tm14  1  0.08149812  0.29452500  0.11666142  1.0
  Tm  Tm15  1  0.99536317  0.99771928  0.49955901  1.0
  Tm  Tm16  1  0.00130532  0.99952831  0.99833844  1.0
  Tm  Tm17  1  0.49996526  0.50026814  0.00422928  1.0
  Tm  Tm18  1  0.50102100  0.49607850  0.50309949  1.0
  Th  Th19  1  0.29232829  0.09027623  0.38117389  1.0
  Ir  Ir20  1  0.34630639  0.65227304  0.75094211  1.0
  Ru  Ru21  1  0.84733866  0.15366318  0.24591901  1.0
  Ru  Ru22  1  0.84605448  0.84560938  0.75216255  1.0
  Ru  Ru23  1  0.15387349  0.15367733  0.74183985  1.0
  Ru  Ru24  1  0.15766580  0.84952504  0.25276704  1.0
  Ru  Ru25  1  0.65301912  0.34573572  0.75437644  1.0
  Ru  Ru26  1  0.65215275  0.65251721  0.25152704  1.0
  Ru  Ru27  1  0.34336989  0.34588606  0.25088238  1.0
  Ru  Ru28  1  0.49736203  0.00014978  0.13458721  1.0
  Ru  Ru29  1  0.50129235  0.00101017  0.63078453  1.0
  Ru  Ru30  1  0.99861461  0.50055930  0.86569913  1.0
  Ru  Ru31  1  0.99889448  0.50043510  0.36698147  1.0