data_Sr2YHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YHf
_chemical_formula_sum   'Sr2 Y1 Hf1'
_cell_volume   146.87
_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  Sr1  1  0.0  0.0  0.72  1.0
  Sr  Sr2  1  0.81  0.81  1.0  1.0
  Y  Y3  1  0.0  0.0  0.07  1.0
  Hf  Hf0  1  0.81  0.81  0.08  1.0

data_Sr2YHf
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2YHf
_chemical_formula_sum   'Sr4 Y2 Hf2'
_cell_volume   293.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.72  1.0
  Sr  Sr1  2  0.31  0.5  1.0  1.0
  Y  Y2  2  0.0  0.0  0.07  1.0
  Hf  Hf3  2  0.31  0.5  0.08  1.0

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