data_[K4Ni2Ag2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7248]
_cell_length_b [8.3332]
_cell_length_c [13.5705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NiAgI6]
_chemical_formula_sum '[K4 Ni2 Ag2 I12]'
_cell_volume [730.0714]
_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
[
  K  K0  4  0.2810  0.0868  0.2508  1.0
  Ni  Ni1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1590  0.5150  0.2280  1.0
  I  I4  4  0.2339  0.6929  0.5278  1.0
  I  I5  4  0.3122  0.1742  0.5360  1.0
]