data_[Pr2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1720]
_cell_length_b [5.0833]
_cell_length_c [6.3364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrBO3]
_chemical_formula_sum '[Pr2 B2 O6]'
_cell_volume [127.5156]
_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  0.3824  0.7500  0.2230  1.0
  B  B1  2  0.0003  0.2500  0.2529  1.0
  O  O2  4  0.1568  0.5154  0.8294  1.0
  O  O3  2  0.3345  0.2500  0.3852  1.0
]