# generated using pymatgen
data_CaPr(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42046100
_cell_length_b   5.42646400
_cell_length_c   7.60236800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr(NiO3)2
_chemical_formula_sum   'Ca2 Pr2 Ni4 O12'
_cell_volume   223.61556945
_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
  Ca  Ca0  1  0.49065700  0.20487300  0.00000000  1.0
  Ca  Ca1  1  0.99065700  0.79512700  0.50000000  1.0
  Pr  Pr2  1  0.00832500  0.71205300  0.00000000  1.0
  Pr  Pr3  1  0.50832500  0.28794700  0.50000000  1.0
  Ni  Ni4  1  0.00035800  0.24943500  0.75009700  1.0
  Ni  Ni5  1  0.00035800  0.24943500  0.24990300  1.0
  Ni  Ni6  1  0.50035800  0.75056500  0.25009700  1.0
  Ni  Ni7  1  0.50035800  0.75056500  0.74990300  1.0
  O  O8  1  0.07105500  0.23483800  0.50000000  1.0
  O  O9  1  0.21768700  0.96788700  0.78707400  1.0
  O  O10  1  0.21768700  0.96788700  0.21292600  1.0
  O  O11  1  0.28609600  0.46452500  0.20796600  1.0
  O  O12  1  0.28609600  0.46452500  0.79203400  1.0
  O  O13  1  0.42162400  0.73798000  0.50000000  1.0
  O  O14  1  0.57105500  0.76516200  0.00000000  1.0
  O  O15  1  0.71768700  0.03211300  0.71292600  1.0
  O  O16  1  0.71768700  0.03211300  0.28707400  1.0
  O  O17  1  0.78609600  0.53547500  0.70796600  1.0
  O  O18  1  0.78609600  0.53547500  0.29203400  1.0
  O  O19  1  0.92162400  0.26202000  0.00000000  1.0