data_[Mn6O10F2]
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/m]
_cell_length_a [4.5473]
_cell_length_b [3.0071]
_cell_length_c [13.6468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn3O5F]
_chemical_formula_sum '[Mn6 O10 F2]'
_cell_volume [186.4724]
_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  0.0205  0.0000  0.6603  1.0
  Mn  Mn1  2  0.4805  0.5000  0.8401  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.1904  0.5000  0.9361  1.0
  O  O5  2  0.1999  0.5000  0.6003  1.0
  O  O6  2  0.3043  0.0000  0.7688  1.0
  O  O7  2  0.3053  0.0000  0.1028  1.0
  O  O8  2  0.3059  0.0000  0.4340  1.0
  F  F9  2  0.1984  0.5000  0.2673  1.0
]