data_LiHf2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08
_cell_length_b   10.08
_cell_length_c   10.08
_cell_angle_alpha   18.63
_cell_angle_beta   18.63
_cell_angle_gamma   18.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Sb
_chemical_formula_sum   'Li1 Hf2 Sb1'
_cell_volume   91.42
_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
  Li  Li2  1  0.0  0.0  0.75  1.0
  Hf  Hf0  1  0.0  0.0  0.02  1.0
  Hf  Hf1  1  0.0  0.0  0.54  1.0
  Sb  Sb3  1  0.0  0.0  0.27  1.0

data_LiHf2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   3.26
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHf2Sb
_chemical_formula_sum   'Li2 Hf4 Sb2'
_cell_volume   182.83
_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
  Li  Li0  2  0.0  0.0  0.25  1.0
  Hf  Hf1  2  0.0  0.0  0.46  1.0
  Hf  Hf2  2  0.0  0.0  0.98  1.0
  Sb  Sb3  2  -0.0  0.0  0.73  1.0

Li Hf Hf Sb