data_CrPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPd2
_chemical_formula_sum   'Cr1 P1 Pd2'
_cell_volume   55.84
_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
  Cr  Cr0  1  0.59  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.29  0.94  0.39  1.0
  Pd  Pd3  1  0.29  0.06  0.39  1.0

data_CrPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   112.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPd2
_chemical_formula_sum   'Cr1 P1 Pd2'
_cell_volume   55.84
_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
  Cr  Cr0  1  -0.0  0.59  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.39  0.29  0.06  1.0
  Pd  Pd3  1  0.39  0.29  0.94  1.0

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