data_[Mn5O9F1]
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 [P1]
_cell_length_a [5.1165]
_cell_length_b [5.2121]
_cell_length_c [7.8493]
_cell_angle_alpha [71.8123]
_cell_angle_beta [71.9419]
_cell_angle_gamma [80.5367]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn5O9F]
_chemical_formula_sum '[Mn5 O9 F1]'
_cell_volume [188.5405]
_cell_formula_units_Z [1]
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  1  0.0034  0.0154  0.9901  1.0
  Mn  Mn1  1  0.2071  0.0047  0.5984  1.0
  Mn  Mn2  1  0.3844  0.9962  0.2025  1.0
  Mn  Mn3  1  0.6011  0.0078  0.7989  1.0
  Mn  Mn4  1  0.7977  0.9979  0.4100  1.0
  O  O5  1  0.0442  0.1830  0.1723  1.0
  O  O6  1  0.1417  0.8048  0.4395  1.0
  O  O7  1  0.2824  0.2118  0.7358  1.0
  O  O8  1  0.3513  0.8149  0.0306  1.0
  O  O9  1  0.4561  0.1846  0.3606  1.0
  O  O10  1  0.5519  0.8080  0.6391  1.0
  O  O11  1  0.6415  0.1867  0.9732  1.0
  O  O12  1  0.8565  0.1962  0.5574  1.0
  O  O13  1  0.9554  0.8197  0.8297  1.0
  F  F14  1  0.7217  0.7712  0.2652  1.0
]