data_[Mn4O2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [3.0299]
_cell_length_b [12.3666]
_cell_length_c [5.2231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Mn2OF4]
_chemical_formula_sum '[Mn4 O2 F8]'
_cell_volume [191.6980]
_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
[
  Mn  Mn0  2  0.1339  0.8010  0.6939  1.0
  Mn  Mn1  2  0.2536  0.0930  0.9983  1.0
  O  O2  2  0.3002  0.2421  0.1168  1.0
  F  F3  2  0.1041  0.5654  0.7509  1.0
  F  F4  2  0.2035  0.9472  0.8820  1.0
  F  F5  2  0.3870  0.6287  0.2477  1.0
  F  F6  2  0.4433  0.3454  0.5285  1.0
]