data_YPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   3.78
_cell_angle_alpha   109.71
_cell_angle_beta   109.71
_cell_angle_gamma   117.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPd2
_chemical_formula_sum   'Y1 P1 Pd2'
_cell_volume   74.12
_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  0.8  0.0  0.0  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.17  0.31  0.44  1.0
  Pd  Pd2  1  0.17  0.69  0.44  1.0

data_YPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.25
_cell_length_c   5.39
_cell_angle_alpha   112.46
_cell_angle_beta   109.71
_cell_angle_gamma   91.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPd2
_chemical_formula_sum   'Y1 P1 Pd2'
_cell_volume   74.12
_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  0.0  0.8  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.13  0.69  0.86  1.0
  Pd  Pd3  1  0.74  0.31  0.47  1.0

Y P Pd Pd