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 [Pmn2_1]
_cell_length_a [9.0290]
_cell_length_b [4.5567]
_cell_length_c [4.5552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mn3O5F]
_chemical_formula_sum '[Mn6 O10 F2]'
_cell_volume [187.4109]
_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  0.1741  0.2541  0.5101  1.0
  Mn  Mn1  2  0.0000  0.7304  0.9802  1.0
  O  O2  4  0.1639  0.5537  0.1964  1.0
  O  O3  4  0.1653  0.9409  0.8080  1.0
  O  O4  2  0.0000  0.4382  0.6895  1.0
  F  F5  2  0.0000  0.0496  0.3014  1.0
]