data_[Sb6S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6224]
_cell_length_b [4.1230]
_cell_length_c [6.3196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb3(SO)2]
_chemical_formula_sum '[Sb6 S4 O4]'
_cell_volume [305.2558]
_cell_formula_units_Z [2]
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
[
  Sb  Sb0  4  0.1952  0.0000  0.7689  1
  Sb  Sb1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.1136  0.5000  0.2898  1
  O  O3  4  0.2215  0.5000  0.8817  1
]