data_P2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PdSe
_chemical_formula_sum   'P2 Pd1 Se1'
_cell_volume   66.8
_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
  P  P0  1  0.32  0.87  0.69  1.0
  P  P1  1  0.32  0.13  0.69  1.0
  Pd  Pd2  1  0.65  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_P2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   109.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PdSe
_chemical_formula_sum   'P2 Pd1 Se1'
_cell_volume   66.8
_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
  P  P0  1  0.69  0.32  0.13  1.0
  P  P1  1  0.69  0.32  0.87  1.0
  Pd  Pd2  1  0.0  0.65  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

P P Pd Se
P P Pd Se 0 1 o + o 0 2 o + + 1 3 o o + 2 3 + o o 