data_AgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   6.81
_cell_angle_alpha   105.86
_cell_angle_beta   105.86
_cell_angle_gamma   29.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPd2
_chemical_formula_sum   'Ag2 Pd4'
_cell_volume   96.87
_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
  Ag  Ag0  1  0.66  0.0  0.52  1.0
  Ag  Ag1  1  0.42  0.0  0.19  1.0
  Pd  Pd2  1  0.58  0.0  0.83  1.0
  Pd  Pd3  1  0.4  0.0  1.0  1.0
  Pd  Pd4  1  0.24  0.0  0.36  1.0
  Pd  Pd5  1  0.85  0.0  0.16  1.0

data_AgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.48
_cell_length_c   6.81
_cell_angle_alpha   105.86
_cell_angle_beta   90.0
_cell_angle_gamma   104.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPd2
_chemical_formula_sum   'Ag2 Pd4'
_cell_volume   96.87
_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
  Ag  Ag0  1  0.0  0.34  0.48  1.0
  Ag  Ag1  1  0.0  0.58  0.81  1.0
  Pd  Pd2  1  0.0  0.15  0.84  1.0
  Pd  Pd3  1  0.0  0.42  0.17  1.0
  Pd  Pd4  1  0.0  0.6  0.0  1.0
  Pd  Pd5  1  0.0  0.76  0.64  1.0

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