data_[Ni2Ag6I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.7382]
_cell_length_b [7.2465]
_cell_length_c [13.5242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ni(AgI2)3]
_chemical_formula_sum '[Ni2 Ag6 I12]'
_cell_volume [624.5746]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.3085  0.5045  0.2667  1
  Ag  Ag2  2  0.5000  0.0000  0.5000  1
  I  I3  4  0.0623  0.1990  0.4183  1
  I  I4  4  0.2713  0.6778  0.4503  1
  I  I5  4  0.3205  0.1058  0.2229  1
]