data_ZnCdPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   129.12
_cell_angle_beta   126.28
_cell_angle_gamma   77.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdPd2
_chemical_formula_sum   'Zn1 Cd1 Pd2'
_cell_volume   64.32
_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  0.0  0.0  0.7  1.0
  Pd  Pd1  1  0.03  0.0  0.79  1.0
  Pd  Pd2  1  0.0  0.14  0.91  1.0

data_ZnCdPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.28
_cell_length_c   4.73
_cell_angle_alpha   116.86
_cell_angle_beta   115.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdPd2
_chemical_formula_sum   'Zn1 Cd1 Pd2'
_cell_volume   64.32
_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  0.0  0.7  0.7  1.0
  Pd  Pd2  1  0.0  0.79  0.76  1.0
  Pd  Pd3  1  0.86  0.77  0.77  1.0

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