data_Sr3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Pd4
_chemical_formula_sum   'Sr3 Pd4'
_cell_volume   203.68
_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  Sr4  1  0.75  0.03  0.41  1.0
  Sr  Sr5  1  0.5  0.0  0.41  1.0
  Sr  Sr6  1  0.25  0.03  0.41  1.0
  Pd  Pd0  1  0.0  0.0  0.61  1.0
  Pd  Pd1  1  0.0  0.0  0.2  1.0
  Pd  Pd2  1  0.0  0.04  0.0  1.0
  Pd  Pd3  1  0.5  0.02  0.0  1.0

data_Sr3Pd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Pd4
_chemical_formula_sum   'Sr3 Pd4'
_cell_volume   203.68
_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  0.41  0.25  0.03  1.0
  Sr  Sr1  1  0.41  0.5  0.0  1.0
  Sr  Sr2  1  0.41  0.75  0.03  1.0
  Pd  Pd3  1  -0.0  0.5  0.02  1.0
  Pd  Pd4  1  -0.0  0.0  0.04  1.0
  Pd  Pd5  1  0.2  0.0  0.0  1.0
  Pd  Pd6  1  0.61  0.0  0.0  1.0

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