data_[Zn4Pb4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0651]
_cell_length_b [6.9721]
_cell_length_c [7.1840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ZnPbSO]
_chemical_formula_sum '[Zn4 Pb4 S4 O4]'
_cell_volume [303.7872]
_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
[
  Zn  Zn0  4  0.0340  0.7017  0.9137  1
  Pb  Pb1  4  0.1123  0.1448  0.1022  1
  S  S2  4  0.1854  0.4466  0.7486  1
  O  O3  4  0.2154  0.1110  0.4349  1
]