data_[Mn6O6F6]
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 [4.8125]
_cell_length_b [3.0752]
_cell_length_c [14.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnOF]
_chemical_formula_sum '[Mn6 O6 F6]'
_cell_volume [210.5735]
_cell_formula_units_Z [6]
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  0.0930  0.0000  0.1647  1.0
  Mn  Mn1  2  0.4549  0.5000  0.6666  1.0
  Mn  Mn2  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn3  1  0.5000  0.5000  0.0000  1.0
  O  O4  2  0.2482  0.5000  0.1033  1.0
  O  O5  2  0.2796  0.0000  0.6006  1.0
  O  O6  2  0.3632  0.0000  0.2677  1.0
  F  F7  2  0.1212  0.5000  0.7753  1.0
  F  F8  2  0.1993  0.5000  0.4360  1.0
  F  F9  2  0.2581  0.0000  0.9359  1.0
]