data_SrY2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   130.14
_cell_angle_beta   130.14
_cell_angle_gamma   73.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Hf
_chemical_formula_sum   'Sr1 Y2 Hf1'
_cell_volume   126.93
_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  0.0  1.0
  Y  Y2  1  0.55  0.0  0.43  1.0
  Y  Y3  1  0.0  0.55  0.43  1.0
  Hf  Hf0  1  0.0  0.0  0.86  1.0

data_SrY2Hf
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   126.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrY2Hf
_chemical_formula_sum   'Sr2 Y4 Hf2'
_cell_volume   253.85
_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  0.0  1.0
  Y  Y1  4  0.34  0.22  0.12  1.0
  Hf  Hf2  2  0.14  0.0  0.14  1.0

Sr Y Y Hf