data_SrLi2Hf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   148.85
_cell_angle_beta   127.37
_cell_angle_gamma   62.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Hf
_chemical_formula_sum   'Sr1 Li2 Hf1'
_cell_volume   109.35
_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  Sr3  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.86  0.59  1.0
  Li  Li2  1  0.73  0.0  0.93  1.0
  Hf  Hf0  1  0.0  0.0  0.52  1.0

data_SrLi2Hf
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.72
_cell_length_c   6.45
_cell_angle_alpha   116.32
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Hf
_chemical_formula_sum   'Sr1 Li2 Hf1'
_cell_volume   109.35
_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  0.0  1.0
  Li  Li1  1  0.41  0.27  0.27  1.0
  Li  Li2  1  0.8  0.07  0.8  1.0
  Hf  Hf3  1  0.48  0.48  0.48  1.0

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