data_Sr5Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   10.07
_cell_angle_alpha   110.55
_cell_angle_beta   110.55
_cell_angle_gamma   32.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Pd
_chemical_formula_sum   'Sr5 Pd1'
_cell_volume   266.59
_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
  Sr  Sr1  1  0.75  0.0  0.98  1.0
  Sr  Sr2  1  0.52  0.0  0.39  1.0
  Sr  Sr3  1  0.18  0.0  0.59  1.0
  Sr  Sr4  1  0.0  0.0  0.0  1.0
  Sr  Sr5  1  0.09  0.0  0.79  1.0
  Pd  Pd0  1  0.16  0.0  0.69  1.0

data_Sr5Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   7.27
_cell_length_c   10.07
_cell_angle_alpha   110.55
_cell_angle_beta   90.0
_cell_angle_gamma   106.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Pd
_chemical_formula_sum   'Sr5 Pd1'
_cell_volume   266.59
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.25  0.02  1.0
  Sr  Sr2  1  0.0  0.48  0.61  1.0
  Sr  Sr3  1  0.0  0.82  0.41  1.0
  Sr  Sr4  1  0.0  0.91  0.21  1.0
  Pd  Pd5  1  0.0  0.84  0.31  1.0

Sr Sr Sr Sr Sr Pd
Sr Sr Sr Sr Sr Pd 0 3 + o + 0 1 o o + 1 2 + - o 1 2 o o o 1 2 + o o 1 3 o o o 1 5 o o o 1 5 + o o 1 1 + - o 1 4 + o o 2 5 o o o 4 5 o o o 