data_[Mn4O2F6]
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 [Pmc2_1]
_cell_length_a [3.1352]
_cell_length_b [5.1345]
_cell_length_c [10.4169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Mn2OF3]
_chemical_formula_sum '[Mn4 O2 F6]'
_cell_volume [167.6887]
_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  0.0000  0.1943  0.8522  1.0
  Mn  Mn1  2  0.5000  0.2502  0.1412  1.0
  O  O2  2  0.0000  0.0828  0.2208  1.0
  F  F3  2  0.0000  0.4188  0.0362  1.0
  F  F4  2  0.5000  0.0313  0.9601  1.0
  F  F5  2  0.5000  0.4158  0.7699  1.0
]