data_LiCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   143.28
_cell_angle_beta   130.05
_cell_angle_gamma   63.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdNi2
_chemical_formula_sum   'Li1 Cd1 Ni2'
_cell_volume   52.71
_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  Li1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.15  1.0
  Ni  Ni2  1  0.0  0.06  0.15  1.0
  Ni  Ni3  1  0.54  0.0  0.0  1.0

data_LiCdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.12
_cell_length_c   4.89
_cell_angle_alpha   114.97
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdNi2
_chemical_formula_sum   'Li1 Cd1 Ni2'
_cell_volume   52.71
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.85  0.85  0.85  1.0
  Ni  Ni2  1  0.54  1.0  0.54  1.0
  Ni  Ni3  1  0.85  0.91  0.91  1.0

Li Cd Ni Ni