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 [P-1]
_cell_length_a [3.0565]
_cell_length_b [5.1182]
_cell_length_c [10.2381]
_cell_angle_alpha [100.8628]
_cell_angle_beta [92.9265]
_cell_angle_gamma [104.2444]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MnOF3]
_chemical_formula_sum '[Li4 Mn2 O2 F6]'
_cell_volume [151.6588]
_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  0.2172  0.4561  0.3886  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn3  2  0.2535  0.4833  0.8731  1.0
  O  O4  2  0.3854  0.7210  0.0492  1.0
  F  F5  2  0.0929  0.2692  0.1783  1.0
  F  F6  2  0.1783  0.3026  0.6918  1.0
  F  F7  2  0.3636  0.7436  0.5488  1.0
]