data_[Li8Ti4Mn4O16]
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
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9882]
_cell_length_b [6.0573]
_cell_length_c [8.7266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li2TiMnO4]
_chemical_formula_sum '[Li8 Ti4 Mn4 O16]'
_cell_volume [316.5308]
_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  0.0000  0.0000  0.0000  1.0
  Li  Li1  4  0.2500  0.2500  0.2500  1.0
  Ti  Ti2  4  0.2500  0.2500  0.7500  1.0
  Mn  Mn3  4  0.0000  0.0000  0.5000  1.0
  O  O4  8  0.0000  0.0229  0.7529  1.0
  O  O5  8  0.2492  0.2500  0.9744  1.0
]