data_Pd(Se3Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   8.49
_cell_length_c   27.08
_cell_angle_alpha   90.53
_cell_angle_beta   95.23
_cell_angle_gamma   84.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd(Se3Cl)2
_chemical_formula_sum   'Pd1 Se6 Cl2'
_cell_volume   982.01
_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  Pd2  1  0.85  0.5  0.24  1.0
  Se  Se3  1  0.97  0.12  0.31  1.0
  Se  Se4  1  0.73  0.88  0.17  1.0
  Se  Se5  1  0.91  0.13  0.17  1.0
  Se  Se6  1  0.64  0.25  0.24  1.0
  Se  Se7  1  0.06  0.75  0.24  1.0
  Se  Se8  1  0.79  0.87  0.31  1.0
  Cl  Cl0  1  0.52  0.54  0.17  1.0
  Cl  Cl1  1  0.19  0.46  0.31  1.0

Pd Se Se Se Se Se Se Cl Cl 0 4 o o o 0 7 o o o 0 8 + o o 0 5 + o o 1 6 o - o 1 4 o o o 2 5 + o o 2 3 o + o 3 4 o o o 5 6 - o o 
data_Pd(Se3Cl)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.31
_cell_length_b   8.49
_cell_length_c   27.03
_cell_angle_alpha   89.6
_cell_angle_beta   86.08
_cell_angle_gamma   84.13
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pd(Se3Cl)2
_chemical_formula_sum   'Pd1 Se6 Cl2'
_cell_volume   982.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  0.5  0.0  1.0
  Se  Se1  2  0.28  0.25  0.0  1.0
  Se  Se2  2  0.37  0.87  0.07  1.0
  Se  Se3  2  0.46  0.88  0.93  1.0
  Cl  Cl4  2  0.24  0.54  0.93  1.0

Pd Se Se Se Se Se Se Cl Cl