data_[Mn8O12F4]
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 [5.5236]
_cell_length_b [4.5919]
_cell_length_c [10.1817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn2O3F]
_chemical_formula_sum '[Mn8 O12 F4]'
_cell_volume [256.3883]
_cell_formula_units_Z [4]
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  0.2549  0.0221  0.2608  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  Mn  Mn2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.0090  0.1987  0.6712  1
  O  O4  4  0.2767  0.1942  0.4278  1
  O  O5  4  0.4829  0.7034  0.3244  1
  F  F6  4  0.2194  0.6834  0.5901  1
]