data_Zn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   16.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Pd
_chemical_formula_sum   'Zn16 Pd8'
_cell_volume   345.4
_cell_formula_units_Z   8
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  Zn8  1  0.48  0.43  0.03  1.0
  Zn  Zn9  1  0.0  0.87  0.14  1.0
  Zn  Zn10  1  0.0  0.87  0.12  1.0
  Zn  Zn11  1  0.48  0.43  0.05  1.0
  Zn  Zn12  1  0.76  0.15  0.0  1.0
  Zn  Zn13  1  0.24  0.15  0.0  1.0
  Zn  Zn14  1  0.48  0.0  0.0  1.0
  Zn  Zn15  1  0.76  0.15  0.09  1.0
  Zn  Zn16  1  0.24  0.15  0.09  1.0
  Zn  Zn17  1  0.48  0.0  0.09  1.0
  Zn  Zn18  1  0.2  0.69  0.04  1.0
  Zn  Zn19  1  0.76  0.69  0.04  1.0
  Zn  Zn20  1  0.48  0.91  0.04  1.0
  Zn  Zn21  1  0.28  0.61  0.13  1.0
  Zn  Zn22  1  0.72  0.61  0.13  1.0
  Zn  Zn23  1  0.0  0.39  0.13  1.0
  Pd  Pd0  1  0.0  0.0  0.52  1.0
  Pd  Pd1  1  0.0  0.0  0.65  1.0
  Pd  Pd2  1  0.0  0.0  0.61  1.0
  Pd  Pd3  1  0.0  0.0  0.56  1.0
  Pd  Pd4  1  0.48  0.43  0.64  1.0
  Pd  Pd5  1  0.0  0.87  0.53  1.0
  Pd  Pd6  1  0.0  0.87  0.55  1.0
  Pd  Pd7  1  0.48  0.43  0.62  1.0

data_Zn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   16.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Pd
_chemical_formula_sum   'Zn16 Pd8'
_cell_volume   345.4
_cell_formula_units_Z   8
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  0.39  0.13  1.0
  Zn  Zn1  1  0.0  0.87  0.12  1.0
  Zn  Zn2  1  0.0  0.87  0.14  1.0
  Zn  Zn3  1  0.2  0.69  0.04  1.0
  Zn  Zn4  1  0.24  0.15  0.0  1.0
  Zn  Zn5  1  0.24  0.15  0.09  1.0
  Zn  Zn6  1  0.28  0.61  0.13  1.0
  Zn  Zn7  1  0.48  0.0  0.0  1.0
  Zn  Zn8  1  0.48  0.0  0.09  1.0
  Zn  Zn9  1  0.48  0.43  0.03  1.0
  Zn  Zn10  1  0.48  0.43  0.05  1.0
  Zn  Zn11  1  0.48  0.91  0.04  1.0
  Zn  Zn12  1  0.72  0.61  0.13  1.0
  Zn  Zn13  1  0.76  0.15  0.0  1.0
  Zn  Zn14  1  0.76  0.15  0.09  1.0
  Zn  Zn15  1  0.76  0.69  0.04  1.0
  Pd  Pd16  1  0.0  0.0  0.52  1.0
  Pd  Pd17  1  0.0  0.0  0.56  1.0
  Pd  Pd18  1  0.0  0.0  0.61  1.0
  Pd  Pd19  1  0.0  0.0  0.65  1.0
  Pd  Pd20  1  0.0  0.87  0.53  1.0
  Pd  Pd21  1  0.0  0.87  0.55  1.0
  Pd  Pd22  1  0.48  0.43  0.62  1.0
  Pd  Pd23  1  0.48  0.43  0.64  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Pd Pd Pd Pd Pd Pd Pd Pd