data_[Li8Mn6O2F16]
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 [Cm]
_cell_length_a [9.8757]
_cell_length_b [2.9867]
_cell_length_c [11.6771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li4Mn3OF8]
_chemical_formula_sum '[Li8 Mn6 O2 F16]'
_cell_volume [336.7685]
_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  0.0049  0.0000  0.9949  1.0
  Li  Li1  2  0.1374  0.0000  0.5580  1.0
  Li  Li2  2  0.2316  0.0000  0.8731  1.0
  Li  Li3  2  0.3578  0.5000  0.4517  1.0
  Mn  Mn4  2  0.0745  0.5000  0.2792  1.0
  Mn  Mn5  2  0.2578  0.5000  0.1182  1.0
  Mn  Mn6  2  0.4381  0.0000  0.7093  1.0
  O  O7  2  0.1297  0.0000  0.1632  1.0
  F  F8  2  0.0970  0.0000  0.7218  1.0
  F  F9  2  0.1271  0.5000  0.9380  1.0
  F  F10  2  0.1954  0.0000  0.4062  1.0
  F  F11  2  0.2989  0.5000  0.6065  1.0
  F  F12  2  0.3727  0.5000  0.8333  1.0
  F  F13  2  0.3730  0.0000  0.0387  1.0
  F  F14  2  0.4105  0.5000  0.2896  1.0
  F  F15  2  0.4937  0.0000  0.5183  1.0
]