data_[Ni6Ag6I2O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6023]
_cell_length_b [6.1897]
_cell_length_c [7.5235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni3Ag3IO8]
_chemical_formula_sum '[Ni6 Ag6 I2 O16]'
_cell_volume [412.1812]
_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  4  0.2500  0.2500  0.5000  1.0
  Ni  Ni1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
  O  O5  8  0.1419  0.2688  0.6651  1.0
  O  O6  4  0.0814  0.5000  0.3317  1.0
  O  O7  4  0.1049  0.0000  0.3384  1.0
]