data_YPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   141.77
_cell_angle_beta   129.42
_cell_angle_gamma   65.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPd2
_chemical_formula_sum   'Y1 P1 Pd2'
_cell_volume   71.21
_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
  Y  Y3  1  0.0  0.0  0.49  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.74  0.0  0.92  1.0
  Pd  Pd2  1  0.0  0.27  0.56  1.0

data_YPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.55
_cell_length_c   5.33
_cell_angle_alpha   115.29
_cell_angle_beta   109.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPd2
_chemical_formula_sum   'Y1 P1 Pd2'
_cell_volume   71.21
_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
  Y  Y0  1  0.0  0.49  0.49  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.92  0.18  1.0
  Pd  Pd3  1  0.73  0.29  0.29  1.0

Y P Pd Pd
Y P Pd Pd 0 3 o o o 1 2 - o - 