data_SrHf2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.28
_cell_angle_alpha   112.65
_cell_angle_beta   112.65
_cell_angle_gamma   29.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Pd
_chemical_formula_sum   'Sr1 Hf2 Pd1'
_cell_volume   97.05
_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  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.22  0.0  0.45  1.0
  Hf  Hf1  1  0.11  0.0  0.39  1.0
  Pd  Pd2  1  0.16  0.0  0.42  1.0

data_SrHf2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.28
_cell_length_c   6.42
_cell_angle_alpha   112.65
_cell_angle_beta   104.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Pd
_chemical_formula_sum   'Sr1 Hf2 Pd1'
_cell_volume   97.05
_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
  Hf  Hf1  1  0.0  0.39  0.11  1.0
  Hf  Hf2  1  0.0  0.45  0.22  1.0
  Pd  Pd3  1  0.0  0.42  0.16  1.0

Sr Hf Hf Pd
Sr Hf Hf Pd 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 