data_[Sr2Pb4I4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [C2/m]
_cell_length_a [13.6668]
_cell_length_b [4.1618]
_cell_length_c [8.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrPb2(IO)2]
_chemical_formula_sum '[Sr2 Pb4 I4 O4]'
_cell_volume [429.6524]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.1961  0.0000  0.8054  1.0
  I  I2  4  0.0664  0.5000  0.3240  1.0
  O  O3  4  0.1982  0.0000  0.0610  1.0
]