data_SnBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   36.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiPd2
_chemical_formula_sum   'Sn1 Bi1 Pd2'
_cell_volume   82.91
_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  0.36  1.0
  Bi  Bi0  1  0.23  0.0  0.39  1.0
  Pd  Pd1  1  0.0  0.0  0.74  1.0
  Pd  Pd2  1  0.23  0.0  0.54  1.0

data_SnBiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.46
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   108.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiPd2
_chemical_formula_sum   'Sn1 Bi1 Pd2'
_cell_volume   82.91
_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  0.64  0.0  0.64  1.0
  Bi  Bi1  1  0.61  0.23  0.61  1.0
  Pd  Pd2  1  0.26  0.0  0.26  1.0
  Pd  Pd3  1  0.46  0.23  0.46  1.0

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