data_[Pr4Ti4B4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ti  1.5400  1.4000  0.8517
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4210]
_cell_length_b [8.6495]
_cell_length_c [6.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrTiBO5]
_chemical_formula_sum '[Pr4 Ti4 B4 O20]'
_cell_volume [356.4725]
_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  0.0000  0.3418  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.3154  0.7500  1.0
  O  O3  8  0.0953  0.2166  0.6228  1.0
  O  O4  8  0.1752  0.4214  0.9040  1.0
  O  O5  4  0.0000  0.0732  0.2500  1.0
]