data_Zn5Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Pd
_chemical_formula_sum   'Zn5 Pd1'
_cell_volume   91.53
_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  Zn1  1  0.24  0.14  0.16  1.0
  Zn  Zn2  1  0.48  0.43  0.0  1.0
  Zn  Zn3  1  0.76  0.14  0.16  1.0
  Zn  Zn4  1  0.48  0.0  0.16  1.0
  Zn  Zn5  1  0.0  0.86  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Zn5Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Pd
_chemical_formula_sum   'Zn5 Pd1'
_cell_volume   91.53
_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  0.48  0.43  1.0
  Zn  Zn1  1  0.0  0.0  0.86  1.0
  Zn  Zn2  1  0.16  0.24  0.14  1.0
  Zn  Zn3  1  0.16  0.48  0.0  1.0
  Zn  Zn4  1  0.16  0.76  0.14  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0

Zn Zn Zn Zn Zn Pd
Zn Zn Zn Zn Zn Pd 0 5 o o o 0 4 o - o 0 1 o o o 2 3 o o o 4 5 o + o 