data_[Cs4Ni2Ag2Cl12]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.2987]
_cell_length_b [7.2987]
_cell_length_c [10.2502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2NiAgCl6]
_chemical_formula_sum '[Cs4 Ni2 Ag2 Cl12]'
_cell_volume [546.0377]
_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  4  0.0000  0.5000  0.2500  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  8  0.2196  0.2196  0.0000  1
  Cl  Cl4  4  0.0000  0.0000  0.2586  1
]