# generated using pymatgen
data_PrThIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35123975
_cell_length_b   5.35123786
_cell_length_c   18.04075210
_cell_angle_alpha   98.52899053
_cell_angle_beta   98.52898710
_cell_angle_gamma   60.00000605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrThIr6
_chemical_formula_sum   'Pr3 Th3 Ir18'
_cell_volume   440.78851889
_cell_formula_units_Z   3
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
  Pr  Pr0  1  0.42950112  0.42950112  0.28850335  1.0
  Pr  Pr1  1  0.93054749  0.93054749  0.79164347  1.0
  Pr  Pr2  1  0.07025563  0.07025563  0.21076888  1.0
  Th  Th3  1  0.56957226  0.56957226  0.70871477  1.0
  Th  Th4  1  0.00046628  0.00046628  0.00139883  1.0
  Th  Th5  1  0.49876831  0.49876831  0.49630494  1.0
  Ir  Ir6  1  0.46212446  0.95833491  0.37879528  1.0
  Ir  Ir7  1  0.96164673  0.45848645  0.87862064  1.0
  Ir  Ir8  1  0.95833491  0.95833491  0.37879528  1.0
  Ir  Ir9  1  0.45848645  0.45848645  0.87862064  1.0
  Ir  Ir10  1  0.95833491  0.46212446  0.37879528  1.0
  Ir  Ir11  1  0.45848645  0.96164673  0.87862064  1.0
  Ir  Ir12  1  0.03760103  0.54178219  0.12116440  1.0
  Ir  Ir13  1  0.53930277  0.04130577  0.62191431  1.0
  Ir  Ir14  1  0.54178219  0.54178219  0.12116440  1.0
  Ir  Ir15  1  0.04130577  0.04130577  0.62191431  1.0
  Ir  Ir16  1  0.54178219  0.03760103  0.12116440  1.0
  Ir  Ir17  1  0.04130577  0.53930277  0.62191431  1.0
  Ir  Ir18  1  0.33377548  0.33377548  0.00132745  1.0
  Ir  Ir19  1  0.83387036  0.83387036  0.50161207  1.0
  Ir  Ir20  1  0.16638678  0.16638678  0.49916233  1.0
  Ir  Ir21  1  0.66613796  0.66613796  0.99841289  1.0
  Ir  Ir22  1  0.75003905  0.75003905  0.25011715  1.0
  Ir  Ir23  1  0.25018266  0.25018266  0.75054598  1.0