data_[Hg4Sb4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [P2_1]
_cell_length_a [5.6313]
_cell_length_b [5.4541]
_cell_length_c [11.4741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [HgSbSO]
_chemical_formula_sum '[Hg4 Sb4 S4 O4]'
_cell_volume [348.8128]
_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
[
  Hg  Hg0  2  0.1071  0.3820  0.5876  1
  Hg  Hg1  2  0.3187  0.2837  0.3977  1
  Sb  Sb2  2  0.0102  0.2196  0.0930  1
  Sb  Sb3  2  0.4546  0.7394  0.1372  1
  S  S4  2  0.1162  0.6814  0.2574  1
  S  S5  2  0.4066  0.6635  0.7448  1
  O  O6  2  0.2237  0.4763  0.0150  1
  O  O7  2  0.2406  0.9539  0.0160  1
]