data_LiHf2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99
_cell_length_b   10.99
_cell_length_c   10.99
_cell_angle_alpha   15.71
_cell_angle_beta   15.71
_cell_angle_gamma   15.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Cd
_chemical_formula_sum   'Li1 Hf2 Cd1'
_cell_volume   84.86
_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  Li3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.46  1.0
  Hf  Hf2  1  0.0  0.0  0.1  1.0
  Cd  Cd0  1  0.0  0.0  0.28  1.0

data_LiHf2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   10.99
_cell_angle_alpha   90.0
_cell_angle_beta   99.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHf2Cd
_chemical_formula_sum   'Li2 Hf4 Cd2'
_cell_volume   169.71
_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  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.54  1.0
  Hf  Hf2  2  0.0  0.0  0.9  1.0
  Cd  Cd3  2  0.0  0.0  0.72  1.0

Li Hf Hf Cd