data_[Pr2Co2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.3713]
_cell_length_b [7.1941]
_cell_length_c [5.0979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrCoO3]
_chemical_formula_sum '[Pr2 Co2 O6]'
_cell_volume [121.3533]
_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  2  0.2850  0.2500  0.5026  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.3034  0.5509  0.7301  1
  O  O3  2  0.0860  0.7500  0.1359  1
]