data_[P16Se12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.2927]
_cell_length_b [8.8946]
_cell_length_c [10.2614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [P4(SeO2)3]
_chemical_formula_sum '[P16 Se12 O24]'
_cell_volume [1213.2104]
_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  0.1567  0.0884  0.1213  1
  P  P1  4  0.2364  0.7039  0.5511  1
  P  P2  4  0.2961  0.0620  0.9007  1
  P  P3  4  0.3668  0.0191  0.1699  1
  Se  Se4  4  0.0354  0.1986  0.1942  1
  Se  Se5  4  0.2028  0.5728  0.0420  1
  Se  Se6  4  0.4828  0.0507  0.2983  1
  O  O7  4  0.1463  0.5949  0.6057  1
  O  O8  4  0.1969  0.1372  0.9783  1
  O  O9  4  0.2606  0.1007  0.2091  1
  O  O10  4  0.2667  0.6209  0.4161  1
  O  O11  4  0.3303  0.6554  0.6473  1
  O  O12  4  0.3823  0.0763  0.0212  1
]