data_[Cu8S24O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1213]
_cell_length_b [10.1636]
_cell_length_c [11.5874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuS3O]
_chemical_formula_sum '[Cu8 S24 O8]'
_cell_volume [830.8229]
_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
[
  Cu  Cu0  4  0.0000  0.2469  0.7500  1
  Cu  Cu1  4  0.0000  0.3116  0.2500  1
  S  S2  8  0.1234  0.0554  0.5171  1
  S  S3  8  0.2295  0.3144  0.1470  1
  S  S4  8  0.2303  0.0243  0.3486  1
  O  O5  8  0.0802  0.4096  0.6319  1
]