data_[Pd1S6Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8372]
_cell_length_b [7.4702]
_cell_length_c [7.9239]
_cell_angle_alpha [62.9148]
_cell_angle_beta [83.0951]
_cell_angle_gamma [83.3709]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pd(S3Br)2]
_chemical_formula_sum '[Pd1 S6 Br2]'
_cell_volume [252.4781]
_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  0.0000  1.0
  S  S1  2  0.0499  0.5120  0.7318  1.0
  S  S2  2  0.1200  0.2458  0.4917  1.0
  S  S3  2  0.1315  0.7293  0.2792  1.0
  Br  Br4  2  0.3683  0.8524  0.8468  1.0
]