data_BaPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   39.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdCl2
_chemical_formula_sum   'Ba1 Pd1 Cl2'
_cell_volume   110.98
_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
  Ba  Ba0  1  0.26  0.0  0.08  1.0
  Pd  Pd3  1  0.0  0.0  0.52  1.0
  Cl  Cl1  1  0.0  0.0  0.31  1.0
  Cl  Cl2  1  0.26  0.0  0.36  1.0

data_BaPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.52
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   109.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdCl2
_chemical_formula_sum   'Ba1 Pd1 Cl2'
_cell_volume   110.98
_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
  Ba  Ba0  1  0.92  0.26  0.92  1.0
  Pd  Pd1  1  0.48  0.0  0.48  1.0
  Cl  Cl2  1  0.64  0.26  0.64  1.0
  Cl  Cl3  1  0.69  0.0  0.69  1.0

Ba Pd Cl Cl
Ba Pd Cl Cl 0 2 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 