data_[Cd1Ag2H6S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.1030]
_cell_length_b [7.1030]
_cell_length_c [20.2104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [CdAg2(HS)6]
_chemical_formula_sum '[Cd1 Ag2 H6 S6]'
_cell_volume [883.0461]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.0000  0.0000  0.5000  1
  Ag  Ag1  2  0.3333  0.6667  0.5000  1
  H  H2  6  0.0000  0.3248  0.6289  1
  S  S3  6  0.0000  0.3414  0.5620  1
]