data_[Li12Mn4O10F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8193]
_cell_length_b [5.8203]
_cell_length_c [9.9441]
_cell_angle_alpha [97.2942]
_cell_angle_beta [92.7887]
_cell_angle_gamma [117.8293]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li6Mn2O5F2]
_chemical_formula_sum '[Li12 Mn4 O10 F4]'
_cell_volume [293.1995]
_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  1  0.0998  0.4389  0.3865  1
  Li  Li1  1  0.1190  0.9065  0.4091  1
  Li  Li2  1  0.1508  0.0739  0.0867  1
  Li  Li3  1  0.3104  0.3988  0.8962  1
  Li  Li4  1  0.3147  0.8519  0.8944  1
  Li  Li5  1  0.4942  0.1538  0.6108  1
  Li  Li6  1  0.5453  0.8793  0.3967  1
  Li  Li7  1  0.6563  0.5842  0.1198  1
  Li  Li8  1  0.6754  0.1204  0.1058  1
  Li  Li9  1  0.7565  0.8401  0.8982  1
  Li  Li10  1  0.9389  0.5967  0.6078  1
  Li  Li11  1  0.9773  0.1771  0.5795  1
  Mn  Mn12  1  0.1744  0.5967  0.1284  1
  Mn  Mn13  1  0.4660  0.6531  0.6345  1
  Mn  Mn14  1  0.5809  0.3893  0.3637  1
  Mn  Mn15  1  0.7937  0.3484  0.8682  1
  O  O16  1  0.2781  0.7705  0.5259  1
  O  O17  1  0.3184  0.3160  0.5002  1
  O  O18  1  0.3989  0.5420  0.2630  1
  O  O19  1  0.4709  0.7370  0.0269  1
  O  O20  1  0.5911  0.9872  0.7642  1
  O  O21  1  0.6498  0.5140  0.7498  1
  O  O22  1  0.7573  0.2594  0.4721  1
  O  O23  1  0.8583  0.4725  0.2397  1
  O  O24  1  0.9685  0.2216  0.9878  1
  O  O25  1  0.9766  0.6913  0.9928  1
  F  F26  1  0.1188  0.4510  0.7422  1
  F  F27  1  0.2930  0.9996  0.2488  1
  F  F28  1  0.4522  0.2175  0.9933  1
  F  F29  1  0.8146  0.8110  0.5066  1
]