data_[K4P1H5Se3O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5877]
_cell_length_b [7.7995]
_cell_length_c [7.8631]
_cell_angle_alpha [71.3542]
_cell_angle_beta [87.6789]
_cell_angle_gamma [85.7145]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K4PH5Se3O16]
_chemical_formula_sum '[K4 P1 H5 Se3 O16]'
_cell_volume [439.6162]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.0326  0.7418  0.2199  1
  K  K1  1  0.3381  0.8120  0.6653  1
  K  K2  1  0.6599  0.1949  0.3319  1
  K  K3  1  0.9681  0.2568  0.7812  1
  P  P4  1  0.5412  0.7193  0.1938  1
  H  H5  1  0.2537  0.4266  0.0306  1
  H  H6  1  0.3784  0.9285  0.9687  1
  H  H7  1  0.4906  0.5354  0.4729  1
  H  H8  1  0.6402  0.9997  0.0837  1
  H  H9  1  0.7460  0.5720  0.9723  1
  Se  Se10  1  0.1275  0.2164  0.2788  1
  Se  Se11  1  0.4678  0.2724  0.8043  1
  Se  Se12  1  0.8715  0.7825  0.7227  1
  O  O13  1  0.0054  0.2685  0.4358  1
  O  O14  1  0.0098  0.1346  0.1524  1
  O  O15  1  0.1910  0.4340  0.1467  1
  O  O16  1  0.3115  0.0907  0.3492  1
  O  O17  1  0.3384  0.4409  0.8414  1
  O  O18  1  0.3405  0.1009  0.8157  1
  O  O19  1  0.3871  0.7958  0.0560  1
  O  O20  1  0.4464  0.6592  0.3836  1
  O  O21  1  0.5616  0.3540  0.6009  1
  O  O22  1  0.6285  0.1953  0.9558  1
  O  O23  1  0.6533  0.5656  0.1610  1
  O  O24  1  0.6561  0.8816  0.1902  1
  O  O25  1  0.6880  0.9083  0.6509  1
  O  O26  1  0.8080  0.5654  0.8560  1
  O  O27  1  0.9896  0.8639  0.8494  1
  O  O28  1  0.9940  0.7309  0.5655  1
]