data_NaPd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96
_cell_length_b   8.96
_cell_length_c   8.96
_cell_angle_alpha   20.78
_cell_angle_beta   20.78
_cell_angle_gamma   20.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd2Br
_chemical_formula_sum   'Na1 Pd2 Br1'
_cell_volume   79.42
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.91  1.0
  Pd  Pd3  1  0.0  0.0  0.4  1.0
  Br  Br0  1  0.0  0.0  0.15  1.0

data_NaPd2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   3.23
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaPd2Br
_chemical_formula_sum   'Na2 Pd4 Br2'
_cell_volume   158.84
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.0  0.0  0.09  1.0
  Pd  Pd2  2  0.0  0.0  0.6  1.0
  Br  Br3  2  0.0  0.0  0.85  1.0

Na Pd Pd Br