data_[Zn2B4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7390]
_cell_length_b [6.1537]
_cell_length_c [4.7656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnB2F8]
_chemical_formula_sum '[Zn2 B4 F16]'
_cell_volume [280.6702]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.0000  1.0
  B  B1  4  0.1932  0.0000  0.6644  1.0
  F  F2  8  0.1244  0.1834  0.7720  1.0
  F  F3  4  0.1571  0.0000  0.3570  1.0
  F  F4  4  0.1667  0.5000  0.2496  1.0
]