# generated using pymatgen
data_Th3Cu(Sb2Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52007160
_cell_length_b   8.52547727
_cell_length_c   8.52547590
_cell_angle_alpha   109.12130038
_cell_angle_beta   109.65857136
_cell_angle_gamma   109.65856818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Cu(Sb2Ir)2
_chemical_formula_sum   'Th6 Cu2 Sb8 Ir4'
_cell_volume   476.55856378
_cell_formula_units_Z   2
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  0.37923078  0.25637712  0.63152179  1.0
  Th  Th1  1  0.74601099  0.87666649  0.11784035  1.0
  Th  Th2  1  0.24601099  0.61784035  0.37666649  1.0
  Th  Th3  1  0.62429233  0.36880183  0.24743470  1.0
  Th  Th4  1  0.87923078  0.13152179  0.75637712  1.0
  Th  Th5  1  0.12429233  0.74743470  0.86880183  1.0
  Cu  Cu6  1  0.12592091  0.87501788  0.24949801  1.0
  Cu  Cu7  1  0.62592091  0.74949801  0.37501788  1.0
  Sb  Sb8  1  0.99936596  0.32729682  0.49917596  1.0
  Sb  Sb9  1  0.83675363  0.50603053  0.00199489  1.0
  Sb  Sb10  1  0.49936596  0.99917596  0.82729682  1.0
  Sb  Sb11  1  0.66477125  0.67009844  0.66429265  1.0
  Sb  Sb12  1  0.16477125  0.16429265  0.17009844  1.0
  Sb  Sb13  1  0.33675363  0.50199489  0.00603053  1.0
  Sb  Sb14  1  0.50076587  0.99496845  0.33660224  1.0
  Sb  Sb15  1  0.00076587  0.83660224  0.49496845  1.0
  Ir  Ir16  1  0.87302734  0.24986594  0.12551432  1.0
  Ir  Ir17  1  0.24986194  0.12377528  0.87722731  1.0
  Ir  Ir18  1  0.74986194  0.37722731  0.62377528  1.0
  Ir  Ir19  1  0.37302734  0.62551432  0.74986594  1.0