data_CuPdNO2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   CuPdNO2
_chemical_formula_sum   'Cu1 Pd1 N1 O2'
_cell_volume   58.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Cu  Cu0  1  0.5  0.5  0.4  1.0
  Pd  Pd1  1  0.0  0.0  0.09  1.0
  N  N2  1  0.0  0.5  0.3  1.0
  O  O3  1  0.5  0.0  0.33  1.0
  O  O4  1  0.5  0.5  0.89  1.0

Cu Pd N O O
data_CuPdNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPdNO2
_chemical_formula_sum   'Cu1 Pd1 N1 O2'
_cell_volume   58.45
_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
  Cu  Cu1  1  0.4  0.5  0.5  1.0
  Pd  Pd0  1  0.09  0.0  0.0  1.0
  N  N2  1  0.3  0.0  0.5  1.0
  O  O3  1  0.33  0.5  0.0  1.0
  O  O4  1  0.89  0.5  0.5  1.0
