# generated using pymatgen
data_Pr16Er4(Ir3Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.15706667
_cell_length_b   11.15706667
_cell_length_c   6.57050480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr16Er4(Ir3Ru)3
_chemical_formula_sum   'Pr16 Er4 Ir9 Ru3'
_cell_volume   817.89733610
_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
  Pr  Pr0  1  0.29116574  0.08671878  0.38426261  1.0
  Pr  Pr1  1  0.29122900  0.91442589  0.88464687  1.0
  Pr  Pr2  1  0.70877100  0.08557411  0.88464687  1.0
  Pr  Pr3  1  0.70883426  0.91328122  0.38426261  1.0
  Pr  Pr4  1  0.58557411  0.79122900  0.88464687  1.0
  Pr  Pr5  1  0.58671878  0.20883426  0.38426261  1.0
  Pr  Pr6  1  0.41328122  0.79116574  0.38426261  1.0
  Pr  Pr7  1  0.41442589  0.20877100  0.88464687  1.0
  Pr  Pr8  1  0.21092780  0.41270488  0.61828440  1.0
  Pr  Pr9  1  0.21059798  0.58754163  0.11546710  1.0
  Pr  Pr10  1  0.78940202  0.41245837  0.11546710  1.0
  Pr  Pr11  1  0.78907220  0.58729512  0.61828440  1.0
  Pr  Pr12  1  0.91245837  0.71059798  0.11546710  1.0
  Pr  Pr13  1  0.91270488  0.28907220  0.61828440  1.0
  Pr  Pr14  1  0.08729512  0.71092780  0.61828440  1.0
  Pr  Pr15  1  0.08754163  0.28940202  0.11546710  1.0
  Er  Er16  1  0.00000000  0.00000000  0.49713647  1.0
  Er  Er17  1  0.00000000  0.00000000  0.99719155  1.0
  Er  Er18  1  0.50000000  0.50000000  0.99719155  1.0
  Er  Er19  1  0.50000000  0.50000000  0.49713647  1.0
  Ir  Ir20  1  0.85442049  0.14645381  0.24908800  1.0
  Ir  Ir21  1  0.85412222  0.85340687  0.74871480  1.0
  Ir  Ir22  1  0.14587778  0.14659313  0.74871480  1.0
  Ir  Ir23  1  0.14557951  0.85354619  0.24908800  1.0
  Ir  Ir24  1  0.64659313  0.35412222  0.74871480  1.0
  Ir  Ir25  1  0.64645381  0.64557951  0.24908800  1.0
  Ir  Ir26  1  0.35354619  0.35442049  0.24908800  1.0
  Ir  Ir27  1  0.35340687  0.64587778  0.74871480  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.38226043  1.0
  Ru  Ru29  1  0.50000000  0.00000000  0.12179480  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.62088082  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.88455178  1.0