data_[Li4Mn2O2F6]
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 [Pc]
_cell_length_a [3.0136]
_cell_length_b [5.2428]
_cell_length_c [9.6019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li2MnOF3]
_chemical_formula_sum '[Li4 Mn2 O2 F6]'
_cell_volume [151.5257]
_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  0.4844  0.2225  0.8197  1
  Li  Li1  2  0.5231  0.2182  0.1870  1
  Mn  Mn2  2  0.9935  0.2678  0.5135  1
  O  O3  2  0.4741  0.1394  0.6172  1
  F  F4  2  0.0136  0.3884  0.1158  1
  F  F5  2  0.5200  0.4238  0.3850  1
  F  F6  2  0.9915  0.0159  0.8613  1
]