data_Sr3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Pd
_chemical_formula_sum   'Sr6 Pd2'
_cell_volume   290.75
_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  0.05  0.86  0.27  1.0
  Sr  Sr3  1  0.81  0.71  0.27  1.0
  Sr  Sr4  1  0.05  0.14  0.42  1.0
  Sr  Sr5  1  0.58  0.86  0.27  1.0
  Sr  Sr6  1  0.81  0.29  0.42  1.0
  Sr  Sr7  1  0.58  0.14  0.42  1.0
  Pd  Pd0  1  0.81  0.9  0.42  1.0
  Pd  Pd1  1  0.81  0.1  0.27  1.0

data_Sr3Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.7
_cell_length_b   7.63
_cell_length_c   7.7
_cell_angle_alpha   119.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr3Pd
_chemical_formula_sum   'Sr6 Pd2'
_cell_volume   290.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.08  0.71  0.21  1.0
  Sr  Sr1  2  0.08  0.86  0.12  1.0
  Sr  Sr2  2  0.08  0.86  0.59  1.0
  Pd  Pd3  2  0.08  0.1  0.6  1.0

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