data_[Cs8Ni8F24]
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 [12.0082]
_cell_length_b [11.8564]
_cell_length_c [5.4432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNiF3]
_chemical_formula_sum '[Cs8 Ni8 F24]'
_cell_volume [774.5936]
_cell_formula_units_Z [8]
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  8  0.1902  0.3839  0.6871  1.0
  Ni  Ni1  4  0.0000  0.0654  0.7500  1.0
  Ni  Ni2  4  0.0000  0.2083  0.2500  1.0
  F  F3  8  0.0865  0.0642  0.0870  1.0
  F  F4  8  0.0895  0.1777  0.5709  1.0
  F  F5  8  0.1107  0.3225  0.1569  1.0
]