data_[Li6Mn2O2F8]
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 [9.8592]
_cell_length_b [3.7299]
_cell_length_c [6.7348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li3MnOF4]
_chemical_formula_sum '[Li6 Mn2 O2 F8]'
_cell_volume [190.1350]
_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  0.0420  0.5000  0.7222  1.0
  Li  Li1  2  0.1805  0.0000  0.5825  1.0
  Li  Li2  2  0.3002  0.5000  0.3405  1.0
  Mn  Mn3  2  0.0002  0.0000  0.0165  1.0
  O  O4  2  0.0354  0.5000  0.0143  1.0
  F  F5  2  0.0348  0.0000  0.7364  1.0
  F  F6  2  0.2282  0.5000  0.6964  1.0
  F  F7  2  0.2754  0.0000  0.3943  1.0
  F  F8  2  0.4476  0.5000  0.2528  1.0
]