# generated using pymatgen
data_LuTh5(SnIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51717468
_cell_length_b   7.52062984
_cell_length_c   8.20644079
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99134108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuTh5(SnIr)6
_chemical_formula_sum   'Lu1 Th5 Sn6 Ir6'
_cell_volume   401.82061557
_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
  Lu  Lu0  1  0.40142164  0.00019084  0.75000000  1.0
  Th  Th1  1  0.41502391  0.00016114  0.25000000  1.0
  Th  Th2  1  0.58462284  0.58695285  0.75000000  1.0
  Th  Th3  1  0.59074827  0.58851826  0.25000000  1.0
  Th  Th4  1  0.00181401  0.41129301  0.25000000  1.0
  Th  Th5  1  0.99819612  0.41334093  0.75000000  1.0
  Sn  Sn6  1  0.25235199  0.24678249  0.50205336  1.0
  Sn  Sn7  1  0.25235199  0.24678249  0.99794664  1.0
  Sn  Sn8  1  0.74369751  0.99996707  0.99366513  1.0
  Sn  Sn9  1  0.00559232  0.75319328  0.50215090  1.0
  Sn  Sn10  1  0.74369751  0.99996707  0.50633487  1.0
  Sn  Sn11  1  0.00559232  0.75319328  0.99784910  1.0
  Ir  Ir12  1  0.66908323  0.33507188  0.50277025  1.0
  Ir  Ir13  1  0.66908323  0.33507188  0.99722975  1.0
  Ir  Ir14  1  0.33394275  0.66477487  0.99766953  1.0
  Ir  Ir15  1  0.33394275  0.66477487  0.50233047  1.0
  Ir  Ir16  1  0.99911211  0.00006495  0.75000000  1.0
  Ir  Ir17  1  0.99972849  0.99989783  0.25000000  1.0