data_Yb3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   113.95
_cell_angle_beta   113.95
_cell_angle_gamma   113.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3Pd4
_chemical_formula_sum   'Yb6 Pd8'
_cell_volume   276.31
_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
  Yb  Yb0  1  0.85  0.38  0.32  1.0
  Yb  Yb1  1  0.52  0.55  0.32  1.0
  Yb  Yb2  1  0.63  0.08  0.32  1.0
  Yb  Yb3  1  0.15  0.62  0.45  1.0
  Yb  Yb4  1  0.48  0.45  0.45  1.0
  Yb  Yb5  1  0.37  0.92  0.45  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  Pd  Pd7  1  0.0  0.0  0.89  1.0
  Pd  Pd8  1  0.0  0.35  0.67  1.0
  Pd  Pd9  1  0.97  0.1  0.67  1.0
  Pd  Pd10  1  0.03  0.56  0.67  1.0
  Pd  Pd11  1  1.0  0.65  0.1  1.0
  Pd  Pd12  1  0.03  0.9  0.1  1.0
  Pd  Pd13  1  0.97  0.44  0.1  1.0

data_Yb3Pd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.77
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   113.95
_cell_angle_beta   104.51
_cell_angle_gamma   104.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3Pd4
_chemical_formula_sum   'Yb6 Pd8'
_cell_volume   276.31
_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
  Yb  Yb0  1  0.32  0.8  0.78  1.0
  Yb  Yb1  1  0.32  0.48  0.95  1.0
  Yb  Yb2  1  0.32  0.69  0.24  1.0
  Yb  Yb3  1  0.45  0.3  0.82  1.0
  Yb  Yb4  1  0.45  0.08  0.53  1.0
  Yb  Yb5  1  0.45  0.97  0.99  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  Pd  Pd7  1  0.1  0.1  0.45  1.0
  Pd  Pd8  1  0.1  0.07  0.2  1.0
  Pd  Pd9  1  0.1  0.13  0.66  1.0
  Pd  Pd10  1  0.67  0.7  0.57  1.0
  Pd  Pd11  1  0.67  0.64  0.11  1.0
  Pd  Pd12  1  0.67  0.67  0.33  1.0
  Pd  Pd13  1  0.89  0.89  0.89  1.0

Yb Yb Yb Yb Yb Yb Pd Pd Pd Pd Pd Pd Pd Pd
Yb Yb Yb Yb Yb Yb Pd Pd Pd Pd Pd Pd Pd Pd 0 3 + o o 0 10 + o o 0 2 o o o 1 4 o o o 2 8 + o o 3 13 - o o 3 5 o o o 5 11 - o o 6 7 o o - 6 12 o - o 7 9 - o o 8 10 o o o 8 9 - o o 11 12 + o o 11 13 o o o 