data_Os2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.6
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   33.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PdCl
_chemical_formula_sum   'Os2 Pd1 Cl1'
_cell_volume   66.73
_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
  Os  Os1  1  0.03  0.0  0.57  1.0
  Os  Os2  1  0.09  0.0  0.66  1.0
  Pd  Pd3  1  0.56  0.0  0.61  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Os2PdCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.78
_cell_length_c   5.6
_cell_angle_alpha   110.15
_cell_angle_beta   90.0
_cell_angle_gamma   106.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PdCl
_chemical_formula_sum   'Os2 Pd1 Cl1'
_cell_volume   66.73
_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  0.44  0.39  1.0
  Os  Os1  1  0.0  0.91  0.34  1.0
  Os  Os2  1  0.0  0.97  0.43  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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