data_Sr2LaHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   4.35
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaHf
_chemical_formula_sum   'Sr2 La1 Hf1'
_cell_volume   155.6
_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  0.91  0.18  0.06  1.0
  Sr  Sr3  1  0.0  0.0  0.81  1.0
  La  La1  1  0.0  0.0  0.46  1.0
  Hf  Hf0  1  0.91  0.18  0.04  1.0

data_Sr2LaHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.35
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaHf
_chemical_formula_sum   'Sr2 La1 Hf1'
_cell_volume   155.6
_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  0.0  0.81  1.0
  Sr  Sr1  1  0.91  0.18  0.06  1.0
  La  La2  1  0.0  0.0  0.46  1.0
  Hf  Hf3  1  0.91  0.18  0.04  1.0

Sr Sr La Hf
Sr2LaHf crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one La(1) and one Hf(1) atom. The Sr(1)-La(1) bond length is 3.82 Å. The Sr(1)-Hf(1) bond length is 0.24 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one La(1) and one Hf(1) atom. The Sr(2)-La(1) bond length is 3.22 Å. The Sr(2)-Hf(1) bond length is 2.33 Å. La(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), and four equivalent La(1) atoms. There are two shorter (3.82 Å) and two longer (4.35 Å) La(1)-La(1) bond lengths. Hf(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Sr(2) atom.