data_CrPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPd
_chemical_formula_sum   'Cr3 P3 Pd3'
_cell_volume   128.61
_cell_formula_units_Z   3
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  0.73  0.19  0.0  1.0
  Cr  Cr1  1  0.95  0.37  0.0  1.0
  Cr  Cr2  1  0.53  0.0  0.0  1.0
  P  P3  1  0.0  0.71  0.8  1.0
  P  P4  1  0.21  0.85  0.8  1.0
  P  P5  1  0.0  0.0  0.0  1.0
  Pd  Pd6  1  0.65  0.07  0.8  1.0
  Pd  Pd7  1  0.86  0.5  0.8  1.0
  Pd  Pd8  1  0.69  0.0  0.8  1.0

data_CrPPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPd
_chemical_formula_sum   'Cr3 P3 Pd3'
_cell_volume   128.61
_cell_formula_units_Z   3
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  0.53  0.0  1.0
  Cr  Cr1  1  0.0  0.73  0.19  1.0
  Cr  Cr2  1  0.0  0.95  0.37  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  P  P4  1  0.8  -0.0  0.71  1.0
  P  P5  1  0.8  0.21  0.85  1.0
  Pd  Pd6  1  0.8  0.65  0.07  1.0
  Pd  Pd7  1  0.8  0.69  0.0  1.0
  Pd  Pd8  1  0.8  0.86  0.5  1.0

Cr Cr Cr P P P Pd Pd Pd
Cr Cr Cr P P P Pd Pd Pd 0 6 o o - 0 1 o o o 1 7 o o - 2 6 o o - 3 7 - o o 3 4 o o o 3 5 o + + 4 5 o + + 5 8 - o - 6 8 o o o 