data_SnBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   144.83
_cell_angle_beta   132.49
_cell_angle_gamma   60.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiPd2
_chemical_formula_sum   'Sn1 Bi1 Pd2'
_cell_volume   82.36
_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
  Sn  Sn3  1  0.0  0.0  0.84  1.0
  Bi  Bi0  1  0.0  0.34  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.1  1.0
  Pd  Pd2  1  0.75  0.0  0.53  1.0

data_SnBiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.68
_cell_length_c   5.81
_cell_angle_alpha   113.75
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiPd2
_chemical_formula_sum   'Sn1 Bi1 Pd2'
_cell_volume   82.36
_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
  Sn  Sn0  1  0.0  0.84  0.84  1.0
  Bi  Bi1  1  0.66  0.24  0.24  1.0
  Pd  Pd2  1  0.0  0.1  0.1  1.0
  Pd  Pd3  1  0.0  0.53  0.77  1.0

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