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 [Amm2]
_cell_length_a [9.1445]
_cell_length_b [6.2705]
_cell_length_c [7.0240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mn6O7F5]
_chemical_formula_sum '[Mn12 O14 F10]'
_cell_volume [402.7566]
_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  0.1676  0.0000  0.4963  1.0
  Mn  Mn1  4  0.3417  0.0000  0.9892  1.0
  Mn  Mn2  2  0.0000  0.0000  0.9975  1.0
  Mn  Mn3  2  0.5000  0.0000  0.5191  1.0
  O  O4  8  0.3360  0.1950  0.5098  1.0
  O  O5  4  0.0000  0.1970  0.4882  1.0
  O  O6  2  0.5000  0.0000  0.8075  1.0
  F  F7  4  0.1644  0.0000  0.8037  1.0
  F  F8  4  0.1754  0.0000  0.1792  1.0
  F  F9  2  0.5000  0.0000  0.2235  1.0
]