# generated using pymatgen
data_Pr3NiBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36291571
_cell_length_b   10.36291559
_cell_length_c   10.36291604
_cell_angle_alpha   109.47122344
_cell_angle_beta   109.47122321
_cell_angle_gamma   109.47121829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3NiBr3
_chemical_formula_sum   'Pr12 Ni4 Br12'
_cell_volume   856.69059434
_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  0.46864692  0.48432296  0.23432296  1.0
  Pr  Pr1  1  0.75000000  0.23432296  0.26567704  1.0
  Pr  Pr2  1  0.75000000  0.01567704  0.48432296  1.0
  Pr  Pr3  1  0.23432296  0.46864692  0.48432296  1.0
  Pr  Pr4  1  0.26567704  0.75000000  0.23432296  1.0
  Pr  Pr5  1  0.03135308  0.26567704  0.01567704  1.0
  Pr  Pr6  1  0.01567704  0.03135308  0.26567704  1.0
  Pr  Pr7  1  0.48432296  0.75000000  0.01567704  1.0
  Pr  Pr8  1  0.48432296  0.23432296  0.46864692  1.0
  Pr  Pr9  1  0.01567704  0.48432296  0.75000000  1.0
  Pr  Pr10  1  0.26567704  0.01567704  0.03135308  1.0
  Pr  Pr11  1  0.23432296  0.26567704  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
  Br  Br16  1  0.25000000  0.75767462  0.74232538  1.0
  Br  Br17  1  0.51535024  0.50767462  0.75767462  1.0
  Br  Br18  1  0.98464976  0.74232538  0.99232538  1.0
  Br  Br19  1  0.74232538  0.25000000  0.75767462  1.0
  Br  Br20  1  0.99232538  0.98464976  0.74232538  1.0
  Br  Br21  1  0.25000000  0.99232538  0.50767462  1.0
  Br  Br22  1  0.75767462  0.51535024  0.50767462  1.0
  Br  Br23  1  0.50767462  0.25000000  0.99232538  1.0
  Br  Br24  1  0.75767462  0.74232538  0.25000000  1.0
  Br  Br25  1  0.74232538  0.99232538  0.98464976  1.0
  Br  Br26  1  0.99232538  0.50767462  0.25000000  1.0
  Br  Br27  1  0.50767462  0.75767462  0.51535024  1.0