# generated using pymatgen
data_Pr(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29852300
_cell_length_b   5.47895025
_cell_length_c   7.59937977
_cell_angle_alpha   90.03315097
_cell_angle_beta   90.61408415
_cell_angle_gamma   90.03872389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr(NiO3)2
_chemical_formula_sum   'Pr2 Ni4 O12'
_cell_volume   220.59984932
_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  0.02406200  0.00135300  0.74832500  1.0
  Pr  Pr1  1  0.47547200  0.50732500  0.25186200  1.0
  Ni  Ni2  1  0.50570100  0.00120800  0.00357600  1.0
  Ni  Ni3  1  0.50567900  0.00446700  0.49525500  1.0
  Ni  Ni4  1  0.99685100  0.50176900  0.50288500  1.0
  Ni  Ni5  1  0.98822700  0.50072500  0.99337300  1.0
  O  O6  1  0.49957900  0.06993600  0.24068600  1.0
  O  O7  1  0.77016300  0.21101500  0.96840500  1.0
  O  O8  1  0.78118200  0.24137000  0.53216900  1.0
  O  O9  1  0.25208900  0.27081800  0.53006900  1.0
  O  O10  1  0.27349500  0.25186000  0.97419300  1.0
  O  O11  1  0.98965600  0.46182000  0.25895300  1.0
  O  O12  1  0.00068600  0.56308200  0.74024400  1.0
  O  O13  1  0.71341200  0.73476800  0.03402600  1.0
  O  O14  1  0.73765100  0.72308700  0.47117700  1.0
  O  O15  1  0.24679300  0.77124000  0.02329600  1.0
  O  O16  1  0.22825300  0.75265100  0.47061500  1.0
  O  O17  1  0.51104900  0.95237600  0.76089200  1.0