data_[P4I12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [8.9750]
_cell_length_b [7.6260]
_cell_length_c [11.0453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PI3O]
_chemical_formula_sum '[P4 I12 O4]'
_cell_volume [686.7934]
_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
[
  P  P0  4  0.1378  0.0384  0.0067  1
  I  I1  4  0.1737  0.0416  0.7945  1
  I  I2  4  0.2630  0.0663  0.5437  1
  I  I3  4  0.3868  0.5219  0.7173  1
  O  O4  4  0.0201  0.6455  0.4897  1
]