data_[H4Pb4Br4O4]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4966]
_cell_length_b [4.1405]
_cell_length_c [7.6361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HPbBrO]
_chemical_formula_sum '[H4 Pb4 Br4 O4]'
_cell_volume [324.2543]
_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
[
  H  H0  4  0.1288  0.0000  0.6102  1.0
  Pb  Pb1  4  0.1721  0.0000  0.2515  1.0
  Br  Br2  4  0.0687  0.5000  0.8128  1.0
  O  O3  4  0.2067  0.0000  0.5891  1.0
]