data_Cd2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.0
_cell_angle_alpha   98.78
_cell_angle_beta   98.78
_cell_angle_gamma   35.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GePd
_chemical_formula_sum   'Cd2 Ge1 Pd1'
_cell_volume   76.2
_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
  Cd  Cd0  1  0.79  0.0  0.66  1.0
  Cd  Cd1  1  0.28  0.0  0.28  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.53  0.0  0.47  1.0

data_Cd2GePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.0
_cell_length_c   5.18
_cell_angle_alpha   98.78
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GePd
_chemical_formula_sum   'Cd2 Ge1 Pd1'
_cell_volume   76.2
_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
  Cd  Cd0  1  0.0  0.28  0.28  1.0
  Cd  Cd1  1  0.0  0.66  0.79  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.47  0.53  1.0

Cd Cd Ge Pd