# generated using pymatgen
data_Pr3NiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.78052283
_cell_length_b   10.78052390
_cell_length_c   10.78052331
_cell_angle_alpha   109.47122325
_cell_angle_beta   109.47122525
_cell_angle_gamma   109.47121927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3NiI3
_chemical_formula_sum   'Pr12 Ni4 I12'
_cell_volume   964.48973796
_cell_formula_units_Z   4
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  0.45565674  0.47782937  0.22782937  1.0
  Pr  Pr1  1  0.75000000  0.22782937  0.27217063  1.0
  Pr  Pr2  1  0.75000000  0.02217063  0.47782937  1.0
  Pr  Pr3  1  0.22782937  0.45565674  0.47782937  1.0
  Pr  Pr4  1  0.27217063  0.75000000  0.22782937  1.0
  Pr  Pr5  1  0.04434326  0.27217063  0.02217063  1.0
  Pr  Pr6  1  0.02217063  0.04434326  0.27217063  1.0
  Pr  Pr7  1  0.47782937  0.75000000  0.02217063  1.0
  Pr  Pr8  1  0.47782937  0.22782937  0.45565674  1.0
  Pr  Pr9  1  0.02217063  0.47782937  0.75000000  1.0
  Pr  Pr10  1  0.27217063  0.02217063  0.04434326  1.0
  Pr  Pr11  1  0.22782937  0.27217063  0.75000000  1.0
  Ni  Ni12  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni13  1  0.50000000  0.00000000  0.25000000  1.0
  Ni  Ni14  1  0.00000000  0.25000000  0.50000000  1.0
  Ni  Ni15  1  0.25000000  0.50000000  0.00000000  1.0
  I  I16  1  0.25000000  0.76021217  0.73978783  1.0
  I  I17  1  0.52042334  0.51021217  0.76021217  1.0
  I  I18  1  0.97957666  0.73978783  0.98978783  1.0
  I  I19  1  0.73978783  0.25000000  0.76021217  1.0
  I  I20  1  0.98978783  0.97957666  0.73978783  1.0
  I  I21  1  0.25000000  0.98978783  0.51021217  1.0
  I  I22  1  0.76021217  0.52042334  0.51021217  1.0
  I  I23  1  0.51021217  0.25000000  0.98978783  1.0
  I  I24  1  0.76021217  0.73978783  0.25000000  1.0
  I  I25  1  0.73978783  0.98978783  0.97957666  1.0
  I  I26  1  0.98978783  0.51021217  0.25000000  1.0
  I  I27  1  0.51021217  0.76021217  0.52042334  1.0