data_Sr2HfCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   149.44
_cell_angle_beta   131.35
_cell_angle_gamma   58.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfCd
_chemical_formula_sum   'Sr2 Hf1 Cd1'
_cell_volume   133.79
_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  Sr2  1  0.0  0.0  0.19  1.0
  Sr  Sr3  1  0.86  0.0  0.45  1.0
  Hf  Hf1  1  0.0  0.91  0.57  1.0
  Cd  Cd0  1  0.0  0.0  0.46  1.0

data_Sr2HfCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.82
_cell_length_c   7.07
_cell_angle_alpha   114.32
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfCd
_chemical_formula_sum   'Sr2 Hf1 Cd1'
_cell_volume   133.79
_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  0.19  0.19  1.0
  Sr  Sr1  1  0.0  0.45  0.58  1.0
  Hf  Hf2  1  0.09  0.66  0.66  1.0
  Cd  Cd3  1  0.0  0.46  0.46  1.0

Sr Sr Hf Cd
Sr Sr Hf Cd 0 3 o o o 1 3 + o o 1 2 + - o 2 3 o + o 