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 [C2/m]
_cell_length_a [5.5395]
_cell_length_b [3.1975]
_cell_length_c [13.3857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnOF2]
_chemical_formula_sum '[Zn4 O4 F8]'
_cell_volume [232.6798]
_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  4  0.0795  0.5000  0.6776  1.0
  O  O1  4  0.0188  0.0000  0.9561  1.0
  F  F2  4  0.1215  0.0000  0.3964  1.0
  F  F3  4  0.2196  0.5000  0.2485  1.0
]