data_Li2HfCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.52
_cell_angle_alpha   95.43
_cell_angle_beta   95.43
_cell_angle_gamma   31.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfCd
_chemical_formula_sum   'Li2 Hf1 Cd1'
_cell_volume   78.26
_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  0.31  0.0  0.33  1.0
  Li  Li3  1  0.14  0.0  0.16  1.0
  Hf  Hf1  1  0.72  0.0  0.75  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Li2HfCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.19
_cell_length_c   5.52
_cell_angle_alpha   95.43
_cell_angle_beta   90.0
_cell_angle_gamma   105.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfCd
_chemical_formula_sum   'Li2 Hf1 Cd1'
_cell_volume   78.26
_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  Li0  1  0.0  0.69  0.67  1.0
  Li  Li1  1  0.0  0.86  0.84  1.0
  Hf  Hf2  1  0.0  0.28  0.25  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Li Li Hf Cd