data_[Zn4Ni4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4863]
_cell_length_b [5.9461]
_cell_length_c [7.6034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZnNiF5]
_chemical_formula_sum '[Zn4 Ni4 F20]'
_cell_volume [341.4746]
_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  0.0000  0.4609  0.2500  1.0
  Ni  Ni1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0109  0.2996  0.9548  1.0
  F  F3  8  0.2407  0.0242  0.6298  1.0
  F  F4  4  0.0000  0.1151  0.2500  1.0
]