data_GeSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.46
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Pd
_chemical_formula_sum   'Ge1 Sb2 Pd1'
_cell_volume   87.16
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.63  0.73  0.61  1.0
  Sb  Sb3  1  0.63  0.73  0.12  1.0
  Pd  Pd1  1  0.0  0.0  0.86  1.0

data_GeSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.46
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Pd
_chemical_formula_sum   'Ge1 Sb2 Pd1'
_cell_volume   87.16
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.63  0.73  0.12  1.0
  Sb  Sb2  1  0.63  0.73  0.61  1.0
  Pd  Pd3  1  0.0  0.0  0.86  1.0

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