data_SrPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPd5
_chemical_formula_sum   'Sr1 Pd5'
_cell_volume   115.18
_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  Sr5  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.64  0.36  0.23  1.0
  Pd  Pd1  1  0.73  0.0  0.23  1.0
  Pd  Pd2  1  0.36  0.36  0.23  1.0
  Pd  Pd3  1  0.0  0.15  0.0  1.0
  Pd  Pd4  1  0.73  0.58  0.0  1.0

data_SrPd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPd5
_chemical_formula_sum   'Sr1 Pd5'
_cell_volume   115.18
_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
  Pd  Pd1  1  0.0  0.0  0.15  1.0
  Pd  Pd2  1  0.0  0.73  0.58  1.0
  Pd  Pd3  1  0.23  0.36  0.36  1.0
  Pd  Pd4  1  0.23  0.64  0.36  1.0
  Pd  Pd5  1  0.23  0.73  0.0  1.0

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