data_OsPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPd2Cl
_chemical_formula_sum   'Os1 Pd2 Cl1'
_cell_volume   63.35
_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  0.4  0.0  0.36  1.0
  Pd  Pd2  1  0.0  0.0  0.1  1.0
  Pd  Pd3  1  0.4  0.0  0.78  1.0
  Cl  Cl0  1  0.0  0.0  0.33  1.0

data_OsPd2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.86
_cell_length_b   4.89
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   OsPd2Cl
_chemical_formula_sum   'Os2 Pd4 Cl2'
_cell_volume   126.74
_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  0.0  0.0  0.9  1.0
  Pd  Pd1  2  0.1  0.5  0.22  1.0
  Os  Os2  2  0.1  0.5  0.64  1.0
  Cl  Cl3  2  0.0  0.0  0.67  1.0

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