data_[Li2Mn2S2O8F2]
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
  S  2.5800  1.0000  0.8800
  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 [5.2662]
_cell_length_b [5.6734]
_cell_length_c [7.5835]
_cell_angle_alpha [106.9154]
_cell_angle_beta [108.3566]
_cell_angle_gamma [96.9208]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMnSO4F]
_chemical_formula_sum '[Li2 Mn2 S2 O8 F2]'
_cell_volume [200.0487]
_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  0.2650  0.6275  0.8009  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.5000  1.0
  S  S3  2  0.3255  0.6352  0.2434  1.0
  O  O4  2  0.0999  0.6488  0.3235  1.0
  O  O5  2  0.2777  0.7593  0.0903  1.0
  O  O6  2  0.3291  0.3647  0.1481  1.0
  O  O7  2  0.4038  0.2427  0.5953  1.0
  F  F8  2  0.1221  0.8987  0.7553  1.0
]