data_CoPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.13
_cell_angle_alpha   99.64
_cell_angle_beta   99.64
_cell_angle_gamma   38.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPd2Cl
_chemical_formula_sum   'Co1 Pd2 Cl1'
_cell_volume   62.58
_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
  Co  Co1  1  0.76  0.0  0.52  1.0
  Pd  Pd2  1  0.38  0.0  0.7  1.0
  Pd  Pd3  1  0.14  0.0  0.35  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.46
_cell_length_c   5.13
_cell_angle_alpha   99.64
_cell_angle_beta   90.0
_cell_angle_gamma   109.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPd2Cl
_chemical_formula_sum   'Co1 Pd2 Cl1'
_cell_volume   62.58
_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
  Co  Co0  1  0.0  0.24  0.48  1.0
  Pd  Pd1  1  0.0  0.62  0.3  1.0
  Pd  Pd2  1  0.0  0.86  0.65  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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