data_ZnCd2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Pd
_chemical_formula_sum   'Zn1 Cd2 Pd1'
_cell_volume   71.31
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.47  0.95  0.55  1.0
  Cd  Cd1  1  0.47  0.05  0.55  1.0
  Pd  Pd2  1  0.94  0.0  0.0  1.0

data_ZnCd2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   106.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Pd
_chemical_formula_sum   'Zn1 Cd2 Pd1'
_cell_volume   71.31
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.55  0.47  0.05  1.0
  Cd  Cd2  1  0.55  0.47  0.95  1.0
  Pd  Pd3  1  0.0  0.94  0.0  1.0

Zn Cd Cd Pd
Zn Cd Cd Pd 0 3 - o o 1 2 o + o 