data_[Mn6O8F4]
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_1]
_cell_length_a [5.5945]
_cell_length_b [4.5805]
_cell_length_c [7.6711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Mn3(O2F)2]
_chemical_formula_sum '[Mn6 O8 F4]'
_cell_volume [196.3526]
_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  0.0875  0.0124  0.3194  1.0
  Mn  Mn1  2  0.2314  0.5044  0.9972  1.0
  Mn  Mn2  2  0.4320  0.9714  0.6569  1.0
  O  O3  2  0.0428  0.8059  0.1034  1.0
  O  O4  2  0.2117  0.6935  0.7678  1.0
  O  O5  2  0.2739  0.3011  0.2190  1.0
  O  O6  2  0.3776  0.8097  0.4262  1.0
  F  F7  2  0.1111  0.2144  0.5591  1.0
  F  F8  2  0.4596  0.1873  0.8994  1.0
]