data_ZnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPd
_chemical_formula_sum   'Zn2 Pd2'
_cell_volume   60.28
_cell_formula_units_Z   2
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  0.0  0.64  0.2  1.0
  Zn  Zn3  1  0.42  0.82  0.39  1.0
  Pd  Pd0  1  0.0  0.64  0.42  1.0
  Pd  Pd1  1  0.42  0.82  0.17  1.0

data_ZnPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnPd
_chemical_formula_sum   'Zn2 Pd2'
_cell_volume   60.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.21  0.59  0.1  1.0
  Pd  Pd1  2  0.21  0.59  0.88  1.0

Zn Zn Pd Pd
Zn Zn Pd Pd 0 3 o o o 1 2 o o o 