data_[Hg2Pb4Br4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [12.1536]
_cell_length_b [4.0514]
_cell_length_c [8.4012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgPb2(BrO)2]
_chemical_formula_sum '[Hg2 Pb4 Br4 O4]'
_cell_volume [348.1682]
_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
[
  Hg  Hg0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.1839  0.0000  0.7720  1.0
  Br  Br2  4  0.0630  0.5000  0.3332  1.0
  O  O3  4  0.1913  0.0000  0.0607  1.0
]