data_[Pd3S2Cl2]
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 [P1]
_cell_length_a [3.6551]
_cell_length_b [5.5554]
_cell_length_c [20.2641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.9930]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pd3(SCl)2]
_chemical_formula_sum '[Pd3 S2 Cl2]'
_cell_volume [407.4782]
_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  0.0118  0.8294  0.4608  1
  Pd  Pd1  1  0.1302  0.9364  0.6009  1
  Pd  Pd2  1  0.9365  0.3253  0.4524  1
  S  S3  1  0.4361  0.4100  0.3851  1
  S  S4  1  0.5020  0.7833  0.3942  1
  Cl  Cl5  1  0.5789  0.7100  0.6449  1
  Cl  Cl6  1  0.6962  0.1855  0.5618  1
]