data_P3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Pd
_chemical_formula_sum   'P6 Pd2'
_cell_volume   143.2
_cell_formula_units_Z   2
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  0.1  0.1  0.08  1.0
  P  P1  1  0.87  0.23  0.23  1.0
  P  P2  1  0.13  0.23  0.23  1.0
  P  P3  1  0.0  0.27  0.23  1.0
  P  P4  1  0.23  0.14  0.08  1.0
  P  P5  1  0.97  0.14  0.08  1.0
  Pd  Pd6  1  0.1  0.79  0.23  1.0
  Pd  Pd7  1  0.0  0.58  0.08  1.0

data_P3Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.3
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   P3Pd
_chemical_formula_sum   'P6 Pd2'
_cell_volume   143.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.08  0.08  0.05  1.0
  P  P1  2  0.08  0.82  0.05  1.0
  P  P2  2  0.08  0.95  0.09  1.0
  Pd  Pd3  2  0.08  0.05  0.61  1.0

P P P P P P Pd Pd
P P P P P P Pd Pd 0 4 o o o 0 2 o o o 0 5 - o o 1 3 + o o 2 5 - o o 2 3 o o o 3 5 - o o 6 7 o o o 