data_[Cs4Co4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [7.2561]
_cell_length_b [8.4963]
_cell_length_c [6.3137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [CsCoSO]
_chemical_formula_sum '[Cs4 Co4 S4 O4]'
_cell_volume [389.2428]
_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
[
  Cs  Cs0  4  0.0891  0.6593  0.5103  1
  Co  Co1  4  0.0907  0.1227  0.5283  1
  S  S2  4  0.1446  0.0249  0.1887  1
  O  O3  4  0.0197  0.3161  0.5227  1
]