# generated using pymatgen
data_Pr2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73203750
_cell_length_b   6.73203750
_cell_length_c   5.69797700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.27997832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2NiO4
_chemical_formula_sum   'Pr4 Ni2 O8'
_cell_volume   191.05875791
_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  0.13692700  0.86307300  0.51638300  1.0
  Pr  Pr1  1  0.86307300  0.13692700  0.48361700  1.0
  Pr  Pr2  1  0.36307300  0.63692700  0.01638300  1.0
  Pr  Pr3  1  0.63692700  0.36307300  0.98361700  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.32108100  0.67891900  0.43154200  1.0
  O  O7  1  0.67891900  0.32108100  0.56845800  1.0
  O  O8  1  0.17891900  0.82108100  0.93154200  1.0
  O  O9  1  0.82108100  0.17891900  0.06845800  1.0
  O  O10  1  0.26971700  0.23028300  0.25000000  1.0
  O  O11  1  0.23028300  0.26971700  0.75000000  1.0
  O  O12  1  0.76971700  0.73028300  0.25000000  1.0
  O  O13  1  0.73028300  0.76971700  0.75000000  1.0