data_[Mn10O4F12]
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 [Cm]
_cell_length_a [15.5755]
_cell_length_b [3.2052]
_cell_length_c [9.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn5(OF3)2]
_chemical_formula_sum '[Mn10 O4 F12]'
_cell_volume [382.7650]
_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  0.1421  0.0000  0.4573  1.0
  Mn  Mn1  2  0.1506  0.5000  0.8246  1.0
  Mn  Mn2  2  0.1788  0.0000  0.1908  1.0
  Mn  Mn3  2  0.3523  0.0000  0.1701  1.0
  Mn  Mn4  2  0.3591  0.5000  0.5567  1.0
  O  O5  2  0.1772  0.5000  0.3414  1.0
  O  O6  2  0.2258  0.5000  0.0968  1.0
  F  F7  2  0.0341  0.0000  0.7509  1.0
  F  F8  2  0.1178  0.5000  0.5761  1.0
  F  F9  2  0.2648  0.0000  0.8960  1.0
  F  F10  2  0.3266  0.0000  0.6582  1.0
  F  F11  2  0.3711  0.0000  0.4173  1.0
  F  F12  2  0.4641  0.5000  0.2457  1.0
]