data_[Pd1S4Cl1]
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 [4.5284]
_cell_length_b [5.0235]
_cell_length_c [7.0013]
_cell_angle_alpha [73.0761]
_cell_angle_beta [86.5100]
_cell_angle_gamma [89.1194]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PdS4Cl]
_chemical_formula_sum '[Pd1 S4 Cl1]'
_cell_volume [152.0881]
_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
[
  Pd  Pd0  1  0.0000  0.0000  0.5000  1
  S  S1  2  0.1369  0.8237  0.8229  1
  S  S2  2  0.3523  0.1212  0.8907  1
  Cl  Cl3  1  0.0000  0.5000  0.5000  1
]