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 [P2_1/c]
_cell_length_a [4.6272]
_cell_length_b [4.6132]
_cell_length_c [10.2735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn3(O2F)2]
_chemical_formula_sum '[Mn6 O8 F4]'
_cell_volume [196.1478]
_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  4  0.3099  0.0197  0.3400  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.0200  0.1767  0.8298  1.0
  O  O3  4  0.3088  0.6921  0.0008  1.0
  F  F4  4  0.3820  0.2206  0.1789  1.0
]