data_YP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.77
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Pd
_chemical_formula_sum   'Y1 P2 Pd1'
_cell_volume   72.23
_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  0.0  1.0
  P  P0  1  0.68  0.88  0.72  1.0
  P  P1  1  0.68  0.88  0.98  1.0
  Pd  Pd2  1  0.0  0.0  0.85  1.0

data_YP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.77
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Pd
_chemical_formula_sum   'Y1 P2 Pd1'
_cell_volume   72.23
_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  0.0  1.0
  P  P1  1  0.68  0.88  0.72  1.0
  P  P2  1  0.68  0.88  0.98  1.0
  Pd  Pd3  1  0.0  0.0  0.85  1.0

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