data_[H1Pb2I1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5324]
_cell_length_b [5.9765]
_cell_length_c [6.0802]
_cell_angle_alpha [62.5530]
_cell_angle_beta [63.8999]
_cell_angle_gamma [64.8134]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HPb2IO6]
_chemical_formula_sum '[H1 Pb2 I1 O6]'
_cell_volume [153.8280]
_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
[
  H  H0  1  0.3889  0.2923  0.7269  1.0
  Pb  Pb1  1  0.1944  0.2289  0.3264  1.0
  Pb  Pb2  1  0.7332  0.7033  0.8339  1.0
  I  I3  1  0.0142  0.0200  0.9654  1.0
  O  O4  1  0.2056  0.3257  0.7106  1.0
  O  O5  1  0.2742  0.8476  0.7186  1.0
  O  O6  1  0.2821  0.8800  0.1410  1.0
  O  O7  1  0.7803  0.2459  0.1656  1.0
  O  O8  1  0.7885  0.2040  0.7360  1.0
  O  O9  1  0.8397  0.7534  0.1697  1.0
]