data_[Cs1Na1Ni1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.6582]
_cell_length_b [5.6582]
_cell_length_c [6.1345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CsNaNiF6]
_chemical_formula_sum '[Cs1 Na1 Ni1 F6]'
_cell_volume [170.0830]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.0000  1
  Na  Na1  1  0.0000  0.0000  0.5000  1
  Ni  Ni2  1  0.3333  0.6667  0.5000  1
  F  F3  6  0.0774  0.4016  0.6698  1
]