data_[Pr4B4O4]
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 [C2/m]
_cell_length_a [7.2732]
_cell_length_b [3.3667]
_cell_length_c [8.0511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrBO]
_chemical_formula_sum '[Pr4 B4 O4]'
_cell_volume [187.8712]
_cell_formula_units_Z [4]
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  4  0.0931  0.5000  0.2882  1
  B  B1  4  0.2316  0.0000  0.9966  1
  O  O2  4  0.1863  0.5000  0.6132  1
]