data_[Co8Pb8S8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  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 [Pbca]
_cell_length_a [5.8200]
_cell_length_b [17.9354]
_cell_length_c [5.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [CoPbSO]
_chemical_formula_sum '[Co8 Pb8 S8 O8]'
_cell_volume [625.0906]
_cell_formula_units_Z [8]
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
[
  Co  Co0  8  0.1620  0.2148  0.6029  1
  Pb  Pb1  8  0.2483  0.5849  0.0010  1
  S  S2  8  0.2482  0.0918  0.4890  1
  O  O3  8  0.1884  0.7141  0.9036  1
]