data_Pd(SeBr3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   7.4
_cell_length_c   9.37
_cell_angle_alpha   106.47
_cell_angle_beta   95.81
_cell_angle_gamma   91.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd(SeBr3)2
_chemical_formula_sum   'Pd1 Se2 Br6'
_cell_volume   332.61
_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  0.0  0.0  0.0  1.0
  Se  Se1  1  0.52  0.64  0.18  1.0
  Se  Se2  1  0.34  0.06  0.74  1.0
  Br  Br3  1  0.72  0.6  0.63  1.0
  Br  Br4  1  0.15  0.1  0.29  1.0
  Br  Br5  1  0.04  0.58  0.07  1.0
  Br  Br6  1  0.1  0.1  0.9  1.0
  Br  Br7  1  0.76  0.6  0.03  1.0
  Br  Br8  1  0.83  0.13  0.85  1.0

data_Pd(SeBr3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   7.4
_cell_length_c   9.37
_cell_angle_alpha   106.47
_cell_angle_beta   95.81
_cell_angle_gamma   91.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd(SeBr3)2
_chemical_formula_sum   'Pd1 Se2 Br6'
_cell_volume   332.61
_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  0.0  0.0  0.0  1.0
  Se  Se1  1  0.34  0.06  0.74  1.0
  Se  Se2  1  0.52  0.64  0.18  1.0
  Br  Br3  1  0.04  0.58  0.07  1.0
  Br  Br4  1  0.1  0.1  0.9  1.0
  Br  Br5  1  0.15  0.1  0.29  1.0
  Br  Br6  1  0.72  0.6  0.63  1.0
  Br  Br7  1  0.76  0.6  0.03  1.0
  Br  Br8  1  0.83  0.13  0.85  1.0

Pd Se Se Br Br Br Br Br Br
Pd Se Se Br Br Br Br Br Br 0 6 o o - 0 3 - - - 0 4 o o o 1 7 o o o 1 3 o o o 2 6 o o o 2 3 o o o 2 3 o - o 2 3 - - o 3 4 o o o 3 5 + o + 3 8 o o o 3 8 o + o 3 6 + + o 3 7 o o + 5 7 - o o 6 8 - o o 