data_Zn2CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CuPd
_chemical_formula_sum   'Zn2 Cu1 Pd1'
_cell_volume   55.5
_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  Zn2  1  0.96  0.0  0.8  1.0
  Zn  Zn3  1  0.0  0.96  0.8  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.96  0.96  0.0  1.0

data_Zn2CuPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2CuPd
_chemical_formula_sum   'Zn4 Cu2 Pd2'
_cell_volume   111.0
_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
  Zn  Zn0  4  0.48  0.48  0.8  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.46  0.5  0.0  1.0

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