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 [Pnnm]
_cell_length_a [4.8752]
_cell_length_b [14.4917]
_cell_length_c [3.1607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Mn3(OF2)2]
_chemical_formula_sum '[Mn6 O4 F8]'
_cell_volume [223.3047]
_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  0.0714  0.1576  0.0000  1.0
  Mn  Mn1  2  0.0000  0.5000  0.0000  1.0
  O  O2  4  0.2367  0.0975  0.5000  1.0
  F  F3  4  0.1269  0.7727  0.5000  1.0
  F  F4  4  0.2050  0.4363  0.5000  1.0
]