data_[K2Mn2S2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [5.8956]
_cell_length_b [6.3960]
_cell_length_c [6.9753]
_cell_angle_alpha [106.0753]
_cell_angle_beta [105.4307]
_cell_angle_gamma [106.7477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMnSO4F]
_chemical_formula_sum '[K2 Mn2 S2 O8 F2]'
_cell_volume [224.2723]
_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
[
  K  K0  2  0.3117  0.6535  0.8808  1
  Mn  Mn1  2  0.1626  0.0723  0.2500  1
  S  S2  2  0.3149  0.6571  0.3657  1
  O  O3  2  0.1218  0.7338  0.2467  1
  O  O4  2  0.1670  0.4148  0.3463  1
  O  O5  2  0.4323  0.8168  0.5971  1
  O  O6  2  0.4872  0.3386  0.7250  1
  F  F7  2  0.2150  0.0453  0.9586  1
]