data_[Ni2Sn2F8]
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 [P-1]
_cell_length_a [5.0586]
_cell_length_b [5.5066]
_cell_length_c [6.6227]
_cell_angle_alpha [73.2905]
_cell_angle_beta [70.3740]
_cell_angle_gamma [89.7238]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiSnF4]
_chemical_formula_sum '[Ni2 Sn2 F8]'
_cell_volume [165.5610]
_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
[
  Ni  Ni0  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni1  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn2  2  0.2662  0.7685  0.9393  1.0
  F  F3  2  0.1532  0.6741  0.6244  1.0
  F  F4  2  0.2550  0.1579  0.6232  1.0
  F  F5  2  0.3095  0.0459  0.1942  1.0
  F  F6  2  0.4786  0.5306  0.1937  1.0
]