data_LiMg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.34
_cell_angle_alpha   99.54
_cell_angle_beta   99.54
_cell_angle_gamma   34.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Cd
_chemical_formula_sum   'Li1 Mg2 Cd1'
_cell_volume   84.02
_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
  Mg  Mg2  1  0.8  0.0  0.95  1.0
  Mg  Mg3  1  0.35  0.0  0.31  1.0
  Cd  Cd0  1  0.57  0.0  0.63  1.0

data_LiMg2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.28
_cell_length_c   5.34
_cell_angle_alpha   99.54
_cell_angle_beta   90.0
_cell_angle_gamma   107.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Cd
_chemical_formula_sum   'Li1 Mg2 Cd1'
_cell_volume   84.02
_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
  Mg  Mg1  1  0.0  0.2  0.05  1.0
  Mg  Mg2  1  0.0  0.65  0.69  1.0
  Cd  Cd3  1  0.0  0.43  0.37  1.0

Li Mg Mg Cd
Li Mg Mg Cd 0 1 - o - 0 2 o o o 1 3 o o o 2 3 o o o 