data_Li2MgCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   142.43
_cell_angle_beta   129.26
_cell_angle_gamma   64.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCd
_chemical_formula_sum   'Li2 Mg1 Cd1'
_cell_volume   75.74
_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  0.01  1.0
  Li  Li2  1  0.76  0.0  0.22  1.0
  Mg  Mg3  1  0.0  0.0  0.58  1.0
  Cd  Cd0  1  0.0  0.34  0.4  1.0

data_Li2MgCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.68
_cell_length_c   5.46
_cell_angle_alpha   115.37
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCd
_chemical_formula_sum   'Li2 Mg1 Cd1'
_cell_volume   75.74
_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  0.01  0.01  1.0
  Li  Li1  1  0.0  0.22  0.47  1.0
  Mg  Mg2  1  0.0  0.58  0.58  1.0
  Cd  Cd3  1  0.66  0.07  0.07  1.0

Li Li Mg Cd