data_Na2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   25.62
_cell_angle_beta   25.62
_cell_angle_gamma   25.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PdBr
_chemical_formula_sum   'Na2 Pd1 Br1'
_cell_volume   94.98
_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
  Na  Na1  1  0.0  0.0  0.13  1.0
  Na  Na2  1  0.0  0.0  0.01  1.0
  Pd  Pd3  1  0.0  0.0  0.07  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Na2PdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   3.69
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2PdBr
_chemical_formula_sum   'Na4 Pd2 Br2'
_cell_volume   189.95
_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  0.87  1.0
  Na  Na1  2  -0.0  0.0  0.99  1.0
  Pd  Pd2  2  -0.0  0.0  0.93  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Na Na Pd Br
Na Na Pd Br 0 2 o o o 1 3 o o o 1 2 o o o 