data_NbPdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   154.87
_cell_angle_beta   139.79
_cell_angle_gamma   48.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPdCl2
_chemical_formula_sum   'Nb1 Pd1 Cl2'
_cell_volume   89.88
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.31  1.0
  Cl  Cl0  1  0.5  0.0  0.97  1.0
  Cl  Cl1  1  0.0  0.37  0.34  1.0

data_NbPdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.75
_cell_length_c   6.9
_cell_angle_alpha   110.11
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPdCl2
_chemical_formula_sum   'Nb1 Pd1 Cl2'
_cell_volume   89.88
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.69  0.69  0.69  1.0
  Cl  Cl2  1  0.53  0.03  0.53  1.0
  Cl  Cl3  1  0.66  0.04  0.04  1.0

Nb Pd Cl Cl