# generated using pymatgen
data_Th4Cr(Si2Ir)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24881989
_cell_length_b   8.24822615
_cell_length_c   8.24945287
_cell_angle_alpha   137.89794715
_cell_angle_beta   104.93806384
_cell_angle_gamma   90.01335559
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Cr(Si2Ir)5
_chemical_formula_sum   'Th4 Cr1 Si10 Ir5'
_cell_volume   347.34429224
_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
  Th  Th0  1  0.85981739  0.63253006  0.23676423  1.0
  Th  Th1  1  0.14019970  0.37700569  0.77281712  1.0
  Th  Th2  1  0.39574172  0.12296078  0.26311175  1.0
  Th  Th3  1  0.60424207  0.86734453  0.72726907  1.0
  Cr  Cr4  1  0.99994070  0.75004043  0.75001257  1.0
  Si  Si5  1  0.49991064  0.75003279  0.25006020  1.0
  Si  Si6  1  0.50007520  0.24992033  0.74979252  1.0
  Si  Si7  1  0.22885115  0.97889435  0.75003328  1.0
  Si  Si8  1  0.77114649  0.52120105  0.75015631  1.0
  Si  Si9  1  0.77182223  0.02171794  0.24996987  1.0
  Si  Si10  1  0.22830410  0.47822264  0.24994249  1.0
  Si  Si11  1  0.03871556  0.88941380  0.15022557  1.0
  Si  Si12  1  0.96132060  0.11154349  0.85074375  1.0
  Si  Si13  1  0.73919920  0.38846316  0.34977133  1.0
  Si  Si14  1  0.26068973  0.61067184  0.64936765  1.0
  Ir  Ir15  1  0.00000224  0.25011025  0.25014482  1.0
  Ir  Ir16  1  0.24700878  0.86316853  0.38808840  1.0
  Ir  Ir17  1  0.75300167  0.14106537  0.61618942  1.0
  Ir  Ir18  1  0.47516477  0.35892986  0.11179667  1.0
  Ir  Ir19  1  0.52484706  0.63676312  0.88374298  1.0