data_[Mn8O12F4]
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 [Cmcm]
_cell_length_a [6.3313]
_cell_length_b [6.5778]
_cell_length_c [6.0183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mn2O3F]
_chemical_formula_sum '[Mn8 O12 F4]'
_cell_volume [250.6385]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.4756  0.7500  1.0
  O  O2  8  0.1920  0.5000  0.0000  1.0
  O  O3  4  0.0000  0.1871  0.7500  1.0
  F  F4  4  0.0000  0.2203  0.2500  1.0
]