data_[Cs4Ni4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [13.8459]
_cell_length_b [5.5631]
_cell_length_c [5.4638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNiF4]
_chemical_formula_sum '[Cs4 Ni4 F16]'
_cell_volume [389.2496]
_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
[
  Cs  Cs0  4  0.0000  0.2602  0.2500  1.0
  Ni  Ni1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.1090  0.2235  0.8545  1.0
  F  F3  8  0.2378  0.4387  0.2691  1.0
]