data_[Mn12O14F10]
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 [C2]
_cell_length_a [9.2678]
_cell_length_b [6.3995]
_cell_length_c [7.5770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Mn6O7F5]
_chemical_formula_sum '[Mn12 O14 F10]'
_cell_volume [406.5769]
_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  0.1663  0.4955  0.6788  1.0
  Mn  Mn1  4  0.1861  0.4951  0.1552  1.0
  Mn  Mn2  2  0.0000  0.0250  0.0000  1.0
  Mn  Mn3  2  0.0000  0.9943  0.5000  1.0
  O  O4  4  0.1636  0.7992  0.6682  1.0
  O  O5  4  0.1639  0.1895  0.6693  1.0
  O  O6  4  0.2218  0.0042  0.0434  1.0
  O  O7  2  0.0000  0.3229  0.0000  1.0
  F  F8  4  0.0760  0.4977  0.3833  1.0
  F  F9  4  0.0982  0.9957  0.3019  1.0
  F  F10  2  0.0000  0.7041  0.0000  1.0
]