data_[Li2Ti2Mn2O12]
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 [C2]
_cell_length_a [4.8833]
_cell_length_b [8.8303]
_cell_length_c [4.7560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiTiMnO6]
_chemical_formula_sum '[Li2 Ti2 Mn2 O12]'
_cell_volume [197.7691]
_cell_formula_units_Z [2]
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  2  0.0000  0.3786  0.5000  1
  Ti  Ti1  2  0.0000  0.1448  0.0000  1
  Mn  Mn2  2  0.0000  0.8269  0.0000  1
  O  O3  4  0.2132  0.9878  0.2244  1
  O  O4  4  0.2321  0.3195  0.2198  1
  O  O5  4  0.2394  0.6890  0.2396  1
]