data_[Pr12B4O24]
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 [Cmc2_1]
_cell_length_a [9.2029]
_cell_length_b [11.6010]
_cell_length_c [5.3791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3BO6]
_chemical_formula_sum '[Pr12 B4 O24]'
_cell_volume [574.2896]
_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  8  0.1909  0.1112  0.9746  1.0
  Pr  Pr1  4  0.0000  0.3934  0.9323  1.0
  B  B2  4  0.0000  0.1930  0.5270  1.0
  O  O3  8  0.1334  0.2530  0.6416  1.0
  O  O4  8  0.1596  0.4896  0.2088  1.0
  O  O5  4  0.0000  0.0700  0.6291  1.0
  O  O6  4  0.0000  0.2021  0.2469  1.0
]