data_SnPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   136.99
_cell_angle_beta   128.59
_cell_angle_gamma   69.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd3
_chemical_formula_sum   'Sn1 Pd3'
_cell_volume   65.85
_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  0.12  1.0
  Pd  Pd0  1  0.84  0.0  0.14  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.17  0.98  1.0

data_SnPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.35
_cell_length_c   5.01
_cell_angle_alpha   115.71
_cell_angle_beta   111.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd3
_chemical_formula_sum   'Sn1 Pd3'
_cell_volume   65.85
_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  0.12  0.12  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.14  0.31  1.0
  Pd  Pd3  1  0.83  0.81  0.81  1.0

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