data_PdSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   7.2
_cell_angle_alpha   95.48
_cell_angle_beta   95.48
_cell_angle_gamma   40.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSeCl2
_chemical_formula_sum   'Pd1 Se1 Cl2'
_cell_volume   104.11
_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  0.05  0.0  0.58  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.56  0.0  0.11  1.0
  Cl  Cl1  1  0.55  0.0  0.06  1.0

data_PdSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.71
_cell_length_c   7.2
_cell_angle_alpha   95.48
_cell_angle_beta   90.0
_cell_angle_gamma   110.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSeCl2
_chemical_formula_sum   'Pd1 Se1 Cl2'
_cell_volume   104.11
_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  0.95  0.42  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.44  0.89  1.0
  Cl  Cl3  1  0.0  0.45  0.94  1.0

Pd Se Cl Cl