# generated using pymatgen
data_Pr4NiI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21681883
_cell_length_b   9.16528344
_cell_length_c   19.20962402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr4NiI5
_chemical_formula_sum   'Pr8 Ni2 I10'
_cell_volume   742.42007640
_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
  Pr  Pr0  1  0.00000000  0.37064148  0.85476851  1.0
  Pr  Pr1  1  0.50000000  0.58114929  -0.00000000  1.0
  Pr  Pr2  1  0.00000000  0.37064148  0.14523149  1.0
  Pr  Pr3  1  0.00000000  0.83364713  0.50000000  1.0
  Pr  Pr4  1  0.50000000  0.62935852  0.35476851  1.0
  Pr  Pr5  1  -0.00000000  0.41885071  0.50000000  1.0
  Pr  Pr6  1  0.50000000  0.62935852  0.64523149  1.0
  Pr  Pr7  1  0.50000000  0.16635287  -0.00000000  1.0
  Ni  Ni8  1  0.50000000  0.62452362  0.50000000  1.0
  Ni  Ni9  1  0.00000000  0.37547638  -0.00000000  1.0
  I  I10  1  0.50000000  0.10861226  0.16878084  1.0
  I  I11  1  0.00000000  0.36192551  0.67385882  1.0
  I  I12  1  0.00000000  0.87280952  -0.00000000  1.0
  I  I13  1  -0.00000000  0.89138774  0.33121916  1.0
  I  I14  1  0.50000000  0.10861226  0.83121916  1.0
  I  I15  1  0.50000000  0.63807449  0.82614118  1.0
  I  I16  1  -0.00000000  0.89138774  0.66878084  1.0
  I  I17  1  0.00000000  0.36192551  0.32614118  1.0
  I  I18  1  0.50000000  0.63807449  0.17385882  1.0
  I  I19  1  0.50000000  0.12719048  0.50000000  1.0