data_PPdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.91
_cell_length_c   28.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPdSe
_chemical_formula_sum   'P4 Pd4 Se4'
_cell_volume   1001.26
_cell_formula_units_Z   4
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
  P  P0  1  0.13  0.29  0.22  1.0
  P  P1  1  0.87  0.79  0.22  1.0
  P  P2  1  0.13  0.21  0.3  1.0
  P  P3  1  0.87  0.71  0.3  1.0
  Pd  Pd4  1  0.76  0.16  0.21  1.0
  Pd  Pd5  1  0.24  0.66  0.21  1.0
  Pd  Pd6  1  0.76  0.34  0.31  1.0
  Pd  Pd7  1  0.24  0.84  0.31  1.0
  Se  Se8  1  0.64  0.54  0.18  1.0
  Se  Se9  1  0.36  0.04  0.18  1.0
  Se  Se10  1  0.36  0.46  0.33  1.0
  Se  Se11  1  0.64  0.96  0.33  1.0

P P P P Pd Pd Pd Pd Se Se Se Se 0 4 - o o 0 9 o o o 0 2 o o o 0 5 o o o 1 8 o o o 1 4 o + o 1 5 + o o 1 3 o o o 2 6 - o o 2 7 o - o 2 10 o o o 3 6 o o o 3 11 o o o 3 7 + o o 4 9 o o o 4 8 o o o 5 8 o o o 5 9 o + o 6 11 o - o 6 10 o o o 7 10 o o o 7 11 o o o 
data_PPdSe
_symmetry_space_group_name_H-M   P2/c
_cell_length_a   28.99
_cell_length_b   5.84
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   13
_chemical_formula_structural   PPdSe
_chemical_formula_sum   'P4 Pd4 Se4'
_cell_volume   1001.26
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z+1/2'
  4  'x, -y, z+1/2'
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
  P  P0  4  0.04  0.13  0.21  1.0
  Pd  Pd1  4  0.05  0.24  0.84  1.0
  Se  Se2  4  0.08  0.36  0.46  1.0

P P P P Pd Pd Pd Pd Se Se Se Se