data_Sr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Pd
_chemical_formula_sum   'Sr4 Pd2'
_cell_volume   195.6
_cell_formula_units_Z   2
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  Sr2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.68  1.0
  Sr  Sr4  1  0.0  0.2  0.84  1.0
  Sr  Sr5  1  0.77  0.6  0.52  1.0
  Pd  Pd0  1  0.0  0.2  0.52  1.0
  Pd  Pd1  1  0.77  0.6  0.84  1.0

data_Sr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Pd
_chemical_formula_sum   'Sr4 Pd2'
_cell_volume   195.6
_cell_formula_units_Z   2
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  0.0  0.68  1.0
  Sr  Sr2  1  0.0  0.2  0.84  1.0
  Sr  Sr3  1  0.77  0.6  0.52  1.0
  Pd  Pd4  1  0.0  0.2  0.52  1.0
  Pd  Pd5  1  0.77  0.6  0.84  1.0

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