data_Cr5Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   94.99
_cell_angle_beta   94.99
_cell_angle_gamma   145.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Pd4
_chemical_formula_sum   'Cr5 Pd4'
_cell_volume   128.71
_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  0.0  0.0  1.0
  Cr  Cr1  1  0.85  0.85  0.0  1.0
  Cr  Cr2  1  0.66  0.34  0.83  1.0
  Cr  Cr3  1  0.34  0.66  0.83  1.0
  Cr  Cr4  1  0.34  0.34  0.83  1.0
  Pd  Pd5  1  0.0  0.71  0.0  1.0
  Pd  Pd6  1  0.0  0.67  0.0  1.0
  Pd  Pd7  1  0.71  0.0  0.0  1.0
  Pd  Pd8  1  0.67  0.0  0.0  1.0

data_Cr5Pd4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   11.86
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr5Pd4
_chemical_formula_sum   'Cr10 Pd8'
_cell_volume   257.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  -0.0  0.34  0.17  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.15  0.0  -0.0  1.0
  Cr  Cr3  2  0.16  0.5  0.17  1.0
  Pd  Pd4  4  0.14  0.14  -0.0  1.0
  Pd  Pd5  4  0.16  0.16  -0.0  1.0

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