data_AgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   6.79
_cell_angle_alpha   104.79
_cell_angle_beta   104.79
_cell_angle_gamma   29.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPd2
_chemical_formula_sum   'Ag2 Pd4'
_cell_volume   97.17
_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  0.14  0.0  0.28  1.0
  Ag  Ag1  1  0.65  0.0  0.27  1.0
  Pd  Pd2  1  0.86  0.0  0.94  1.0
  Pd  Pd3  1  0.93  0.0  0.61  1.0
  Pd  Pd4  1  0.54  0.0  0.43  1.0
  Pd  Pd5  1  0.24  0.0  0.12  1.0

data_AgPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.81
_cell_length_b   5.47
_cell_length_c   6.79
_cell_angle_alpha   104.79
_cell_angle_beta   90.0
_cell_angle_gamma   104.85
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgPd2
_chemical_formula_sum   'Ag2 Pd4'
_cell_volume   97.17
_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
  Ag  Ag0  2  0.0  0.24  0.51  1.0
  Pd  Pd1  2  0.0  0.04  0.84  1.0
  Pd  Pd2  2  0.0  0.35  0.34  1.0

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