data_AsPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.04
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   96.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPdCl2
_chemical_formula_sum   'As1 Pd1 Cl2'
_cell_volume   82.27
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.63  0.0  0.21  1.0
  Cl  Cl1  1  0.98  0.02  0.7  1.0
  Cl  Cl2  1  0.45  0.02  0.73  1.0

data_AsPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.04
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   96.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPdCl2
_chemical_formula_sum   'As1 Pd1 Cl2'
_cell_volume   82.27
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.63  0.0  0.21  1.0
  Cl  Cl2  1  0.45  0.02  0.73  1.0
  Cl  Cl3  1  0.98  0.02  0.7  1.0

As Pd Cl Cl
As Pd Cl Cl 0 3 - o - 0 2 - o - 0 1 - o o 0 1 o o o 2 3 o o o 2 3 + o o 