data_[Mn6O4F8]
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 [P-1]
_cell_length_a [4.8206]
_cell_length_b [5.7898]
_cell_length_c [7.9664]
_cell_angle_alpha [86.4127]
_cell_angle_beta [89.6700]
_cell_angle_gamma [88.7136]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn3(OF2)2]
_chemical_formula_sum '[Mn6 O4 F8]'
_cell_volume [221.8514]
_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  0.0047  0.3350  0.1505  1.0
  Mn  Mn1  2  0.4587  0.1773  0.8239  1.0
  Mn  Mn2  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.1838  0.3741  0.9292  1.0
  O  O5  2  0.3162  0.2221  0.5959  1.0
  F  F6  2  0.1967  0.7085  0.6245  1.0
  F  F7  2  0.2034  0.0364  0.2507  1.0
  F  F8  2  0.2958  0.5271  0.2831  1.0
  F  F9  2  0.3225  0.8613  0.9498  1.0
]