data_Sn2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.78
_cell_angle_alpha   102.6
_cell_angle_beta   102.6
_cell_angle_gamma   36.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2MoPd
_chemical_formula_sum   'Sn2 Mo1 Pd1'
_cell_volume   76.67
_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  0.5  0.0  0.4  1.0
  Sn  Sn3  1  0.24  0.0  0.23  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.87  0.0  0.81  1.0

data_Sn2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.77
_cell_length_c   5.78
_cell_angle_alpha   102.6
_cell_angle_beta   90.0
_cell_angle_gamma   108.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2MoPd
_chemical_formula_sum   'Sn2 Mo1 Pd1'
_cell_volume   76.67
_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  0.5  0.6  1.0
  Sn  Sn1  1  0.0  0.76  0.77  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.13  0.19  1.0

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