data_[Li24Ti4B12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1/c]
_cell_length_a [7.0759]
_cell_length_b [16.2412]
_cell_length_c [6.5215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li6Ti(BO3)3]
_chemical_formula_sum '[Li24 Ti4 B12 O36]'
_cell_volume [723.7386]
_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  0.0676  0.5047  0.1791  1
  Li  Li1  4  0.1364  0.5544  0.5858  1
  Li  Li2  4  0.2756  0.7079  0.6372  1
  Li  Li3  4  0.3049  0.0366  0.4468  1
  Li  Li4  4  0.4216  0.2067  0.4546  1
  Li  Li5  4  0.4589  0.5303  0.3299  1
  Ti  Ti6  4  0.0762  0.1867  0.6615  1
  B  B7  4  0.0825  0.1386  0.1581  1
  B  B8  4  0.2816  0.6247  0.9988  1
  B  B9  4  0.4310  0.1195  0.8113  1
  O  O10  4  0.0093  0.1713  0.9568  1
  O  O11  4  0.0987  0.0545  0.1802  1
  O  O12  4  0.1103  0.5781  0.9605  1
  O  O13  4  0.1238  0.1927  0.3284  1
  O  O14  4  0.2492  0.7055  0.9360  1
  O  O15  4  0.2629  0.0727  0.7305  1
  O  O16  4  0.3991  0.5820  0.5757  1
  O  O17  4  0.4073  0.2021  0.7627  1
  O  O18  4  0.4621  0.5905  0.0826  1
]