data_[Mn6O8F4]
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 [P-1]
_cell_length_a [5.4846]
_cell_length_b [5.5467]
_cell_length_c [7.0067]
_cell_angle_alpha [74.1440]
_cell_angle_beta [74.3258]
_cell_angle_gamma [75.5592]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn3(O2F)2]
_chemical_formula_sum '[Mn6 O8 F4]'
_cell_volume [193.8380]
_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  0.1898  0.1411  0.3334  1.0
  Mn  Mn1  2  0.1931  0.1552  0.8271  1.0
  Mn  Mn2  1  0.5000  0.5000  0.0000  1.0
  Mn  Mn3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.0842  0.0520  0.6252  1.0
  O  O5  2  0.2707  0.2630  0.0387  1.0
  O  O6  2  0.4264  0.3634  0.2977  1.0
  O  O7  2  0.4599  0.8428  0.3242  1.0
  F  F8  2  0.1006  0.5516  0.6622  1.0
  F  F9  2  0.1702  0.7965  0.0259  1.0
]