data_[Li24Ti56O112]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.9163]
_cell_length_b [8.4567]
_cell_length_c [13.3776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3Ti7O14]
_chemical_formula_sum '[Li24 Ti56 O112]'
_cell_volume [2118.4192]
_cell_formula_units_Z [8]
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  8  0.0710  0.1258  0.9633  1
  Li  Li1  8  0.1423  0.3756  0.1789  1
  Li  Li2  8  0.2143  0.1250  0.3931  1
  Ti  Ti3  8  0.0357  0.2539  0.3563  1
  Ti  Ti4  8  0.0707  0.0033  0.7146  1
  Ti  Ti5  8  0.1064  0.2507  0.5727  1
  Ti  Ti6  8  0.1415  0.4997  0.4271  1
  Ti  Ti7  8  0.1776  0.2502  0.7850  1
  Ti  Ti8  8  0.2138  0.0008  0.1424  1
  Ti  Ti9  4  0.0000  0.5000  0.0000  1
  Ti  Ti10  4  0.2500  0.2500  0.0000  1
  O  O11  8  0.0071  0.2620  0.4961  1
  O  O12  8  0.0323  0.0135  0.3464  1
  O  O13  8  0.0401  0.4842  0.3707  1
  O  O14  8  0.0643  0.2367  0.2179  1
  O  O15  8  0.0803  0.2341  0.7097  1
  O  O16  8  0.1040  0.4874  0.5607  1
  O  O17  8  0.1106  0.0122  0.5818  1
  O  O18  8  0.1358  0.2624  0.4323  1
  O  O19  8  0.1502  0.2626  0.9250  1
  O  O20  8  0.1752  0.0124  0.7750  1
  O  O21  8  0.1824  0.4874  0.7966  1
  O  O22  8  0.2074  0.2370  0.6464  1
  O  O23  8  0.2214  0.2375  0.1391  1
  O  O24  8  0.2464  0.4870  0.9891  1
]