data_[Cd4H4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3500]
_cell_length_b [6.3982]
_cell_length_c [7.1437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdHS]
_chemical_formula_sum '[Cd4 H4 S4]'
_cell_volume [268.2330]
_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
[
  Cd  Cd0  4  0.0000  0.2504  0.5000  1
  H  H1  4  0.0565  0.5000  0.9947  1
  S  S2  4  0.1613  0.0000  0.2944  1
]