data_Y3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   7.9
_cell_angle_alpha   114.28
_cell_angle_beta   114.28
_cell_angle_gamma   114.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Pd4
_chemical_formula_sum   'Y6 Pd8'
_cell_volume   293.84
_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
  Y  Y8  1  0.85  0.42  0.24  1.0
  Y  Y9  1  0.67  0.05  0.24  1.0
  Y  Y10  1  0.48  0.53  0.24  1.0
  Y  Y11  1  0.15  0.58  0.53  1.0
  Y  Y12  1  0.33  0.95  0.53  1.0
  Y  Y13  1  0.52  0.47  0.53  1.0
  Pd  Pd0  1  0.0  0.0  0.89  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.6  0.77  0.58  1.0
  Pd  Pd3  1  0.9  0.56  0.58  1.0
  Pd  Pd4  1  0.5  0.67  0.58  1.0
  Pd  Pd5  1  0.4  0.23  0.2  1.0
  Pd  Pd6  1  0.1  0.44  0.2  1.0
  Pd  Pd7  1  0.5  0.33  0.2  1.0

data_Y3Pd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.77
_cell_length_b   7.9
_cell_length_c   7.9
_cell_angle_alpha   114.28
_cell_angle_beta   104.09
_cell_angle_gamma   104.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Pd4
_chemical_formula_sum   'Y6 Pd8'
_cell_volume   293.84
_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
  Y  Y0  1  0.24  0.39  0.82  1.0
  Y  Y1  1  0.24  0.57  0.19  1.0
  Y  Y2  1  0.24  0.77  0.72  1.0
  Y  Y3  1  0.53  0.0  0.06  1.0
  Y  Y4  1  0.53  0.2  0.58  1.0
  Y  Y5  1  0.53  0.38  0.95  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  Pd  Pd7  1  0.2  0.1  0.76  1.0
  Pd  Pd8  1  0.2  0.7  0.87  1.0
  Pd  Pd9  1  0.2  0.79  0.96  1.0
  Pd  Pd10  1  0.58  0.07  0.91  1.0
  Pd  Pd11  1  0.58  0.67  0.01  1.0
  Pd  Pd12  1  0.58  0.98  0.81  1.0
  Pd  Pd13  1  0.89  0.89  0.89  1.0

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