data_Sr2HfCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   5.91
_cell_angle_alpha   111.45
_cell_angle_beta   111.45
_cell_angle_gamma   30.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfCd
_chemical_formula_sum   'Sr2 Hf1 Cd1'
_cell_volume   132.5
_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  0.13  0.0  0.18  1.0
  Sr  Sr3  1  0.36  0.0  0.85  1.0
  Hf  Hf1  1  0.85  0.0  0.44  1.0
  Cd  Cd0  1  0.16  0.0  0.73  1.0

data_Sr2HfCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.91
_cell_length_c   6.87
_cell_angle_alpha   111.45
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfCd
_chemical_formula_sum   'Sr2 Hf1 Cd1'
_cell_volume   132.5
_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  0.18  0.13  1.0
  Sr  Sr1  1  0.0  0.85  0.36  1.0
  Hf  Hf2  1  0.0  0.44  0.85  1.0
  Cd  Cd3  1  0.0  0.73  0.16  1.0

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