data_[Ag16P4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3163]
_cell_length_b [6.9283]
_cell_length_c [11.3148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag4PIO4]
_chemical_formula_sum '[Ag16 P4 I4 O16]'
_cell_volume [692.4997]
_cell_formula_units_Z [4]
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
[
  Ag  Ag0  4  0.0056  0.0379  0.7815  1
  Ag  Ag1  4  0.2900  0.0182  0.5398  1
  Ag  Ag2  4  0.3564  0.0359  0.0757  1
  Ag  Ag3  2  0.3142  0.2500  0.7804  1
  Ag  Ag4  2  0.3792  0.2500  0.3077  1
  P  P5  2  0.3070  0.7500  0.7987  1
  P  P6  2  0.3634  0.7500  0.3235  1
  I  I7  2  0.0521  0.2500  0.5704  1
  I  I8  2  0.0956  0.2500  0.0240  1
  O  O9  4  0.2667  0.5639  0.3257  1
  O  O10  4  0.3768  0.5650  0.8753  1
  O  O11  2  0.1324  0.7500  0.7701  1
  O  O12  2  0.3509  0.7500  0.6752  1
  O  O13  2  0.4083  0.7500  0.2012  1
  O  O14  2  0.4940  0.2500  0.5584  1
]