data_[Li13Mn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6419]
_cell_length_b [5.6895]
_cell_length_c [9.5711]
_cell_angle_alpha [90.0074]
_cell_angle_beta [106.3299]
_cell_angle_gamma [119.5970]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li13Mn2O12]
_chemical_formula_sum '[Li13 Mn2 O12]'
_cell_volume [252.7800]
_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  0.0788  0.9381  0.6349  1
  Li  Li1  1  0.1187  0.4800  0.1267  1
  Li  Li2  1  0.2558  0.9457  0.2550  1
  Li  Li3  1  0.2785  0.4338  0.7389  1
  Li  Li4  1  0.3940  0.8575  0.8825  1
  Li  Li5  1  0.4797  0.7269  0.4587  1
  Li  Li6  1  0.5013  0.3362  0.9609  1
  Li  Li7  1  0.5228  0.2759  0.5361  1
  Li  Li8  1  0.6296  0.0662  0.1387  1
  Li  Li9  1  0.7110  0.5714  0.2470  1
  Li  Li10  1  0.7436  0.0682  0.7437  1
  Li  Li11  1  0.8881  0.5388  0.8644  1
  Li  Li12  1  0.9253  0.0413  0.3774  1
  Mn  Mn13  1  0.9880  0.9983  0.9995  1
  Mn  Mn14  1  0.9999  0.4985  0.4952  1
  O  O15  1  0.0806  0.5658  0.3141  1
  O  O16  1  0.1122  0.0828  0.8253  1
  O  O17  1  0.2061  0.8111  0.0395  1
  O  O18  1  0.2138  0.3147  0.5398  1
  O  O19  1  0.3435  0.3146  0.1165  1
  O  O20  1  0.3534  0.8442  0.6044  1
  O  O21  1  0.6356  0.6777  0.8861  1
  O  O22  1  0.6509  0.1526  0.3894  1
  O  O23  1  0.7713  0.1989  0.9589  1
  O  O24  1  0.7894  0.6862  0.4559  1
  O  O25  1  0.8946  0.9334  0.1799  1
  O  O26  1  0.9226  0.4448  0.6817  1
]