data_Nb2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   18.81
_cell_angle_beta   18.81
_cell_angle_gamma   18.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2PdCl
_chemical_formula_sum   'Nb2 Pd1 Cl1'
_cell_volume   66.71
_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  Nb1  1  0.0  0.0  0.71  1.0
  Nb  Nb2  1  0.0  0.0  0.87  1.0
  Pd  Pd3  1  0.0  0.0  0.29  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2PdCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   100.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2PdCl
_chemical_formula_sum   'Nb4 Pd2 Cl2'
_cell_volume   133.42
_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
  Nb  Nb0  2  0.0  0.0  0.13  1.0
  Nb  Nb1  2  0.0  0.0  0.29  1.0
  Pd  Pd2  2  0.0  0.0  0.71  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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