data_[Li8Mn2O4F6]
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 [P-1]
_cell_length_a [5.9199]
_cell_length_b [6.0215]
_cell_length_c [6.5591]
_cell_angle_alpha [105.5613]
_cell_angle_beta [92.6667]
_cell_angle_gamma [100.5115]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4MnO2F3]
_chemical_formula_sum '[Li8 Mn2 O4 F6]'
_cell_volume [220.3341]
_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  0.1326  0.8640  0.9862  1
  Li  Li1  2  0.2233  0.5528  0.2486  1
  Li  Li2  2  0.4995  0.6729  0.6815  1
  Li  Li3  1  0.0000  0.0000  0.5000  1
  Li  Li4  1  0.5000  0.0000  0.5000  1
  Mn  Mn5  2  0.3191  0.2695  0.8555  1
  O  O6  2  0.2068  0.2184  0.1047  1
  O  O7  2  0.4580  0.3178  0.6152  1
  F  F8  2  0.0255  0.7629  0.2685  1
  F  F9  2  0.2784  0.9140  0.7093  1
  F  F10  2  0.3362  0.6360  0.9792  1
]