data_Sn2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.28
_cell_angle_alpha   106.17
_cell_angle_beta   106.17
_cell_angle_gamma   34.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GePd
_chemical_formula_sum   'Sn2 Ge1 Pd1'
_cell_volume   85.29
_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  0.18  0.0  0.31  1.0
  Sn  Sn3  1  0.36  0.0  0.62  1.0
  Ge  Ge0  1  0.07  0.0  0.57  1.0
  Pd  Pd1  1  0.75  0.0  0.08  1.0

data_Sn2GePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.28
_cell_length_c   5.47
_cell_angle_alpha   106.17
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GePd
_chemical_formula_sum   'Sn2 Ge1 Pd1'
_cell_volume   85.29
_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  0.31  0.18  1.0
  Sn  Sn1  1  0.0  0.62  0.36  1.0
  Ge  Ge2  1  0.0  0.57  0.07  1.0
  Pd  Pd3  1  0.0  0.08  0.75  1.0

Sn Sn Ge Pd