data_SrY2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.42
_cell_angle_alpha   98.65
_cell_angle_beta   98.65
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Hf
_chemical_formula_sum   'Sr1 Y2 Hf1'
_cell_volume   128.9
_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  0.57  0.0  0.63  1.0
  Y  Y2  1  0.63  0.0  0.17  1.0
  Y  Y3  1  0.09  0.0  0.64  1.0
  Hf  Hf0  1  0.38  0.0  0.42  1.0

data_SrY2Hf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   6.09
_cell_length_c   6.42
_cell_angle_alpha   98.65
_cell_angle_beta   90.0
_cell_angle_gamma   106.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Hf
_chemical_formula_sum   'Sr1 Y2 Hf1'
_cell_volume   128.9
_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  0.43  0.37  1.0
  Y  Y1  1  0.0  0.37  0.83  1.0
  Y  Y2  1  0.0  0.91  0.36  1.0
  Hf  Hf3  1  0.0  0.62  0.58  1.0

Sr Y Y Hf