data_Pd2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.97
_cell_angle_alpha   102.76
_cell_angle_beta   102.76
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2RuCl
_chemical_formula_sum   'Pd2 Ru1 Cl1'
_cell_volume   64.6
_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  0.69  0.0  0.25  1.0
  Pd  Pd2  1  0.43  0.0  0.59  1.0
  Ru  Ru3  1  0.06  0.0  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Pd2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.85
_cell_length_c   4.97
_cell_angle_alpha   102.76
_cell_angle_beta   90.0
_cell_angle_gamma   107.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2RuCl
_chemical_formula_sum   'Pd2 Ru1 Cl1'
_cell_volume   64.6
_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  0.31  0.75  1.0
  Pd  Pd1  1  0.0  0.57  0.41  1.0
  Ru  Ru2  1  0.0  0.94  0.58  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Pd Pd Ru Cl
Pd Pd Ru Cl 0 3 + o o 0 2 + o o 1 2 o o o 2 3 o o o 