data_PdSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSe2Cl
_chemical_formula_sum   'Pd1 Se2 Cl1'
_cell_volume   82.05
_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  0.85  0.85  0.0  1.0
  Se  Se2  1  0.85  0.0  1.0  1.0
  Se  Se3  1  0.0  0.85  1.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_PdSe2Cl
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   6.0
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   PdSe2Cl
_chemical_formula_sum   'Pd2 Se4 Cl2'
_cell_volume   164.09
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  0.0  0.85  1.0
  Se  Se1  4  0.0  0.08  0.92  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Pd Se Se Cl