data_[Cs2Ni2As2F12]
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
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7882]
_cell_length_b [9.1705]
_cell_length_c [6.4521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsNiAsF6]
_chemical_formula_sum '[Cs2 Ni2 As2 F12]'
_cell_volume [342.2783]
_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
[
  Cs  Cs0  2  0.0000  0.0003  0.0000  1.0
  Ni  Ni1  2  0.0000  0.6751  0.5000  1.0
  As  As2  2  0.0000  0.3267  0.5000  1.0
  F  F3  4  0.1246  0.4916  0.6627  1.0
  F  F4  4  0.2042  0.8137  0.6744  1.0
  F  F5  4  0.2382  0.1931  0.6939  1.0
]