data_[Zn2S6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5497]
_cell_length_b [3.9206]
_cell_length_c [8.7341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnS3]
_chemical_formula_sum '[Zn2 S6]'
_cell_volume [218.8326]
_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  0.0075  0.2500  0.3924  1.0
  S  S1  2  0.1875  0.7500  0.4027  1.0
  S  S2  2  0.3080  0.2500  0.0319  1.0
  S  S3  2  0.4139  0.2500  0.8463  1.0
]