data_Ba2SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnPd
_chemical_formula_sum   'Ba2 Sn1 Pd1'
_cell_volume   144.26
_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
  Ba  Ba0  1  0.0  0.0  0.01  1.0
  Ba  Ba1  1  0.92  0.92  0.21  1.0
  Sn  Sn3  1  0.92  0.92  0.58  1.0
  Pd  Pd2  1  0.0  0.0  0.62  1.0

data_Ba2SnPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SnPd
_chemical_formula_sum   'Ba4 Sn2 Pd2'
_cell_volume   288.53
_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
  Ba  Ba0  2  0.0  0.0  0.01  1.0
  Ba  Ba1  2  0.42  0.5  0.21  1.0
  Sn  Sn2  2  0.42  0.5  0.58  1.0
  Pd  Pd3  2  0.0  0.0  0.62  1.0

Ba Ba Sn Pd
Ba Ba Sn Pd 0 1 - - o 2 3 + + o 