data_[Li12Mn2O8F2]
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 [P2_1]
_cell_length_a [5.0118]
_cell_length_b [9.5057]
_cell_length_c [5.2668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li6MnO4F]
_chemical_formula_sum '[Li12 Mn2 O8 F2]'
_cell_volume [225.1705]
_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  0.1878  0.2422  0.1272  1
  Li  Li1  2  0.2163  0.0044  0.9548  1
  Li  Li2  2  0.2437  0.4502  0.4880  1
  Li  Li3  2  0.2745  0.5010  0.9842  1
  Li  Li4  2  0.3353  0.0596  0.5029  1
  Li  Li5  2  0.4441  0.7461  0.0974  1
  Mn  Mn6  2  0.2053  0.7409  0.5078  1
  O  O7  2  0.1415  0.6147  0.2017  1
  O  O8  2  0.2165  0.2522  0.5192  1
  O  O9  2  0.3924  0.8895  0.7738  1
  O  O10  2  0.4537  0.6010  0.7760  1
  F  F11  2  0.0852  0.8990  0.1826  1
]