data_[Pd2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4105]
_cell_length_b [6.8549]
_cell_length_c [6.8770]
_cell_angle_alpha [70.4623]
_cell_angle_beta [88.1212]
_cell_angle_gamma [76.7257]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PdSCl]
_chemical_formula_sum '[Pd2 S2 Cl2]'
_cell_volume [147.3016]
_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
[
  Pd  Pd0  2  0.0779  0.8615  0.7693  1.0
  S  S1  2  0.4829  0.0596  0.8371  1.0
  Cl  Cl2  2  0.3181  0.3532  0.3071  1.0
]