data_[Pb4Se4Br4O16]
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
  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 [13.4256]
_cell_length_b [6.1829]
_cell_length_c [6.9203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PbSeBrO4]
_chemical_formula_sum '[Pb4 Se4 Br4 O16]'
_cell_volume [539.5605]
_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  0.1828  0.5000  0.7606  1.0
  Se  Se1  4  0.1638  0.5000  0.2542  1.0
  Br  Br2  4  0.0308  0.0000  0.6777  1.0
  O  O3  8  0.1775  0.2857  0.1104  1.0
  O  O4  4  0.0502  0.5000  0.2977  1.0
  O  O5  4  0.2370  0.0000  0.5187  1.0
]