data_LiMgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCd2
_chemical_formula_sum   'Li1 Mg1 Cd2'
_cell_volume   80.73
_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  0.0  0.0  0.12  1.0
  Mg  Mg3  1  0.77  0.77  0.75  1.0
  Cd  Cd0  1  0.0  0.0  0.38  1.0
  Cd  Cd1  1  0.77  0.77  0.76  1.0

data_LiMgCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMgCd2
_chemical_formula_sum   'Li2 Mg2 Cd4'
_cell_volume   161.46
_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  0.12  1.0
  Mg  Mg1  2  0.27  0.5  0.75  1.0
  Cd  Cd2  2  0.0  0.0  0.38  1.0
  Cd  Cd3  2  0.27  0.5  0.76  1.0

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