data_[Ni4Sn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.2853]
_cell_length_b [5.5894]
_cell_length_c [4.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NiSnF4]
_chemical_formula_sum '[Ni4 Sn4 F16]'
_cell_volume [349.0806]
_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
[
  Ni  Ni0  2  0.0000  0.1709  0.0000  1.0
  Ni  Ni1  2  0.0000  0.6410  0.5000  1.0
  Sn  Sn2  4  0.2148  0.7986  0.2314  1.0
  F  F3  4  0.0577  0.8977  0.2931  1.0
  F  F4  4  0.0657  0.4087  0.3023  1.0
  F  F5  4  0.1427  0.6293  0.8236  1.0
  F  F6  4  0.1497  0.1115  0.9663  1.0
]