data_[Mn16O24F8]
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 [C2/m]
_cell_length_a [9.1575]
_cell_length_b [6.0197]
_cell_length_c [10.0488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2O3F]
_chemical_formula_sum '[Mn16 O24 F8]'
_cell_volume [503.3020]
_cell_formula_units_Z [8]
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  8  0.1244  0.2446  0.7484  1
  Mn  Mn1  4  0.2286  0.5000  0.4857  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Mn  Mn3  2  0.0000  0.5000  0.0000  1
  O  O4  8  0.0467  0.2470  0.9029  1
  O  O5  8  0.2041  0.2501  0.5964  1
  O  O6  4  0.0116  0.5000  0.3444  1
  O  O7  4  0.2328  0.5000  0.1546  1
  F  F8  4  0.0426  0.0000  0.3626  1
  F  F9  4  0.2148  0.0000  0.1420  1
]