data_Sr(GePd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   136.49
_cell_angle_beta   136.49
_cell_angle_gamma   63.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(GePd)2
_chemical_formula_sum   'Sr1 Ge2 Pd2'
_cell_volume   101.76
_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
  Sr  Sr4  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.44  1.0
  Ge  Ge1  1  0.0  0.0  0.8  1.0
  Pd  Pd2  1  0.23  0.0  0.56  1.0
  Pd  Pd3  1  0.0  0.23  0.56  1.0

data_Sr(GePd)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   121.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr(GePd)2
_chemical_formula_sum   'Sr2 Ge4 Pd4'
_cell_volume   203.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.44  1.0
  Ge  Ge2  2  0.0  0.0  0.8  1.0
  Pd  Pd3  4  0.39  0.39  0.33  1.0

Sr Ge Ge Pd Pd
Sr Ge Ge Pd Pd 0 2 o o - 1 4 o o o 1 3 o o o 