data_Sn2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.19
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   110.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2SbPd
_chemical_formula_sum   'Sn2 Sb1 Pd1'
_cell_volume   98.07
_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  Sn2  1  0.3  0.1  0.24  1.0
  Sn  Sn3  1  0.99  0.1  0.22  1.0
  Sb  Sb1  1  0.0  0.0  0.73  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sn2SbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.29
_cell_length_c   5.81
_cell_angle_alpha   110.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2SbPd
_chemical_formula_sum   'Sn2 Sb1 Pd1'
_cell_volume   98.07
_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  0.9  0.01  0.78  1.0
  Sn  Sn1  1  0.9  0.7  0.76  1.0
  Sb  Sb2  1  0.0  1.0  0.27  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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