data_[Li12Pr8B12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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/c]
_cell_length_a [5.7560]
_cell_length_b [14.1489]
_cell_length_c [9.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3Pr2(BO3)3]
_chemical_formula_sum '[Li12 Pr8 B12 O36]'
_cell_volume [700.1563]
_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
[
  Li  Li0  4  0.0801  0.1657  0.5089  1
  Li  Li1  4  0.0831  0.7151  0.7908  1
  Li  Li2  4  0.4494  0.6132  0.7932  1
  Pr  Pr3  4  0.1525  0.5024  0.3400  1
  Pr  Pr4  4  0.4437  0.1638  0.3082  1
  B  B5  4  0.1153  0.6637  0.5281  1
  B  B6  4  0.2368  0.5139  0.9867  1
  B  B7  4  0.3887  0.1772  0.9824  1
  O  O8  4  0.0055  0.6688  0.3677  1
  O  O9  4  0.1677  0.5745  0.5940  1
  O  O10  4  0.1753  0.0666  0.3958  1
  O  O11  4  0.1762  0.7432  0.6203  1
  O  O12  4  0.1883  0.6018  0.9176  1
  O  O13  4  0.2890  0.1701  0.8214  1
  O  O14  4  0.3477  0.5060  0.1468  1
  O  O15  4  0.4144  0.2372  0.5573  1
  O  O16  4  0.4546  0.0944  0.0683  1
]