data_[Zn6S4O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3183]
_cell_length_b [6.6151]
_cell_length_c [7.8690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn3S2O9]
_chemical_formula_sum '[Zn6 S4 O18]'
_cell_volume [337.8805]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  2  0.1778  0.7500  0.7822  1
  Zn  Zn2  2  0.3749  0.7500  0.2669  1
  S  S3  2  0.1497  0.2500  0.6969  1
  S  S4  2  0.4417  0.2500  0.2856  1
  O  O5  4  0.1064  0.0685  0.7851  1
  O  O6  4  0.3080  0.0698  0.2540  1
  O  O7  2  0.0220  0.2500  0.4897  1
  O  O8  2  0.1356  0.7500  0.0118  1
  O  O9  2  0.3679  0.2500  0.7421  1
  O  O10  2  0.3839  0.7500  0.5192  1
  O  O11  2  0.4722  0.7500  0.8517  1
]