data_Cr2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GePd
_chemical_formula_sum   'Cr2 Ge1 Pd1'
_cell_volume   53.77
_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
  Cr  Cr0  1  0.37  0.37  0.49  1.0
  Cr  Cr1  1  0.37  0.37  0.7  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.6  1.0

data_Cr2GePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2GePd
_chemical_formula_sum   'Cr4 Ge2 Pd2'
_cell_volume   107.54
_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
  Cr  Cr0  2  0.37  0.0  0.49  1.0
  Cr  Cr1  2  0.37  0.0  0.7  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.6  1.0

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