data_[Zn4O4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5536]
_cell_length_b [3.2030]
_cell_length_c [12.9306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnOF2]
_chemical_formula_sum '[Zn4 O4 F8]'
_cell_volume [229.7891]
_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
[
  Zn  Zn0  2  0.1507  0.5000  0.4436  1.0
  Zn  Zn1  2  0.3506  0.0000  0.7875  1.0
  O  O2  2  0.3033  0.0000  0.1611  1.0
  O  O3  2  0.3741  0.0000  0.0721  1.0
  F  F4  2  0.0249  0.0000  0.8625  1.0
  F  F5  2  0.1764  0.5000  0.7129  1.0
  F  F6  2  0.3250  0.0000  0.5183  1.0
  F  F7  2  0.4765  0.5000  0.3686  1.0
]