data_[Li1Ti2Mn3O10]
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 [P1]
_cell_length_a [5.0214]
_cell_length_b [5.0853]
_cell_length_c [7.9264]
_cell_angle_alpha [74.9406]
_cell_angle_beta [73.6072]
_cell_angle_gamma [81.9938]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTi2Mn3O10]
_chemical_formula_sum '[Li1 Ti2 Mn3 O10]'
_cell_volume [187.0341]
_cell_formula_units_Z [1]
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  1  0.6763  0.5006  0.4557  1.0
  Ti  Ti1  1  0.1241  0.9855  0.3170  1.0
  Ti  Ti2  1  0.8933  0.9920  0.6736  1.0
  Mn  Mn3  1  0.0096  0.5022  0.9970  1.0
  Mn  Mn4  1  0.3121  0.9941  0.8958  1.0
  Mn  Mn5  1  0.7046  0.0170  0.0942  1.0
  O  O6  1  0.0452  0.7856  0.1223  1.0
  O  O7  1  0.0923  0.2180  0.4691  1.0
  O  O8  1  0.1959  0.7571  0.7841  1.0
  O  O9  1  0.3637  0.2111  0.0531  1.0
  O  O10  1  0.4780  0.8172  0.3056  1.0
  O  O11  1  0.5479  0.1825  0.6852  1.0
  O  O12  1  0.6511  0.7939  0.9408  1.0
  O  O13  1  0.8186  0.2509  0.2113  1.0
  O  O14  1  0.9008  0.7685  0.5190  1.0
  O  O15  1  0.9691  0.2208  0.8735  1.0
]