data_CuGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   134.7
_cell_angle_beta   134.7
_cell_angle_gamma   66.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGePd2
_chemical_formula_sum   'Cu1 Ge1 Pd2'
_cell_volume   58.18
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.88  0.0  0.05  1.0
  Pd  Pd2  1  0.0  0.0  0.1  1.0
  Pd  Pd3  1  0.0  0.88  0.05  1.0

data_CuGePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   4.89
_cell_angle_alpha   112.65
_cell_angle_beta   112.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGePd2
_chemical_formula_sum   'Cu1 Ge1 Pd2'
_cell_volume   58.18
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.95  0.0  0.83  1.0
  Pd  Pd2  1  0.83  0.88  0.83  1.0
  Pd  Pd3  1  0.9  0.0  0.9  1.0

Cu Ge Pd Pd