data_CrPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   13.55
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPd3
_chemical_formula_sum   'Cr6 Pd18'
_cell_volume   361.44
_cell_formula_units_Z   6
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  0.8  0.77  0.05  1.0
  Cr  Cr1  1  0.8  0.26  0.56  1.0
  Cr  Cr2  1  0.8  0.29  0.56  1.0
  Cr  Cr3  1  0.0  0.0  0.72  1.0
  Cr  Cr4  1  0.0  0.04  0.21  1.0
  Cr  Cr5  1  0.0  0.51  0.21  1.0
  Pd  Pd6  1  0.19  0.26  0.94  1.0
  Pd  Pd7  1  0.19  0.29  0.94  1.0
  Pd  Pd8  1  0.19  0.77  0.45  1.0
  Pd  Pd9  1  0.2  0.0  0.31  1.0
  Pd  Pd10  1  0.2  0.03  0.82  1.0
  Pd  Pd11  1  0.2  0.51  0.82  1.0
  Pd  Pd12  1  0.8  0.0  0.71  1.0
  Pd  Pd13  1  0.8  0.03  0.21  1.0
  Pd  Pd14  1  0.8  0.52  0.21  1.0
  Pd  Pd15  1  0.4  0.26  0.94  1.0
  Pd  Pd16  1  0.4  0.29  0.94  1.0
  Pd  Pd17  1  0.41  0.77  0.45  1.0
  Pd  Pd18  1  0.39  0.0  0.31  1.0
  Pd  Pd19  1  0.4  0.03  0.82  1.0
  Pd  Pd20  1  0.4  0.51  0.82  1.0
  Pd  Pd21  1  0.0  0.77  0.06  1.0
  Pd  Pd22  1  0.0  0.26  0.56  1.0
  Pd  Pd23  1  0.0  0.29  0.56  1.0

data_CrPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   5.6
_cell_length_c   13.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPd3
_chemical_formula_sum   'Cr6 Pd18'
_cell_volume   361.44
_cell_formula_units_Z   6
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  0.05  0.8  0.77  1.0
  Cr  Cr1  1  0.21  0.0  0.04  1.0
  Cr  Cr2  1  0.21  0.0  0.51  1.0
  Cr  Cr3  1  0.56  0.8  0.26  1.0
  Cr  Cr4  1  0.56  0.8  0.29  1.0
  Cr  Cr5  1  0.72  0.0  0.0  1.0
  Pd  Pd6  1  0.06  0.0  0.77  1.0
  Pd  Pd7  1  0.21  0.8  0.03  1.0
  Pd  Pd8  1  0.21  0.8  0.52  1.0
  Pd  Pd9  1  0.31  0.2  0.0  1.0
  Pd  Pd10  1  0.31  0.39  0.0  1.0
  Pd  Pd11  1  0.45  0.19  0.77  1.0
  Pd  Pd12  1  0.45  0.41  0.77  1.0
  Pd  Pd13  1  0.56  0.0  0.26  1.0
  Pd  Pd14  1  0.56  0.0  0.29  1.0
  Pd  Pd15  1  0.71  0.8  0.0  1.0
  Pd  Pd16  1  0.82  0.2  0.03  1.0
  Pd  Pd17  1  0.82  0.2  0.51  1.0
  Pd  Pd18  1  0.82  0.4  0.03  1.0
  Pd  Pd19  1  0.82  0.4  0.51  1.0
  Pd  Pd20  1  0.94  0.19  0.26  1.0
  Pd  Pd21  1  0.94  0.19  0.29  1.0
  Pd  Pd22  1  0.94  0.4  0.26  1.0
  Pd  Pd23  1  0.94  0.4  0.29  1.0

Cr Cr Cr Cr Cr Cr Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Cr Cr Cr Cr Cr Cr Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 21 + o o 1 2 o o o 3 12 - o o 3 10 o o o 4 13 - o o 4 9 o o o 5 14 - o o 6 7 o o o 8 17 o o o 9 18 o o o 10 19 o o o 11 20 o o o 15 16 o o o 22 23 o o o 