data_[Ni4Ag4I2O12]
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 [5.4071]
_cell_length_b [9.1759]
_cell_length_c [6.1689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2Ag2IO6]
_chemical_formula_sum '[Ni4 Ag4 I2 O12]'
_cell_volume [292.2480]
_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  0.0000  0.1663  0.5000  1.0
  Ag  Ag1  4  0.0000  0.1819  0.0000  1.0
  I  I2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.1014  0.3379  0.3190  1.0
  O  O4  4  0.1184  0.0000  0.3100  1.0
]