data_[Pb4Se4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  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 [16.0220]
_cell_length_b [5.9684]
_cell_length_c [6.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PbSeIO4]
_chemical_formula_sum '[Pb4 Se4 I4 O16]'
_cell_volume [622.0915]
_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
[
  Pb  Pb0  4  0.1963  0.5000  0.7427  1.0
  Se  Se1  4  0.1785  0.5000  0.2559  1.0
  I  I2  4  0.0430  0.0000  0.7047  1.0
  O  O3  8  0.1846  0.2771  0.1083  1.0
  O  O4  4  0.0894  0.5000  0.3243  1.0
  O  O5  4  0.2313  0.0000  0.5278  1.0
]