data_[Ba1Pr1Co2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P4mm]
_cell_length_a [3.9434]
_cell_length_b [3.9434]
_cell_length_c [7.7322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [BaPr(CoO3)2]
_chemical_formula_sum '[Ba1 Pr1 Co2 O6]'
_cell_volume [120.2409]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.0005  1
  Pr  Pr1  1  0.0000  0.0000  0.4976  1
  Co  Co2  1  0.5000  0.5000  0.2514  1
  Co  Co3  1  0.5000  0.5000  0.7473  1
  O  O4  2  0.0000  0.5000  0.2740  1
  O  O5  2  0.0000  0.5000  0.7246  1
  O  O6  1  0.5000  0.5000  0.0128  1
  O  O7  1  0.5000  0.5000  0.4945  1
]