data_PdSeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   6.94
_cell_length_c   3.57
_cell_angle_alpha   83.1
_cell_angle_beta   68.31
_cell_angle_gamma   28.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSeCl
_chemical_formula_sum   'Pd1 Se1 Cl1'
_cell_volume   72.63
_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  Pd1  1  0.73  0.13  0.47  1.0
  Se  Se2  1  0.73  0.13  0.53  1.0
  Cl  Cl0  1  0.73  0.13  0.88  1.0

data_PdSeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.45
_cell_length_b   13.44
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   118.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PdSeCl
_chemical_formula_sum   'Pd2 Se2 Cl2'
_cell_volume   145.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.23  0.5  0.2  1.0
  Se  Se1  2  0.23  0.5  0.26  1.0
  Cl  Cl2  2  0.23  0.5  0.61  1.0

Pd Se Cl