data_Mg2CdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdCl
_chemical_formula_sum   'Mg2 Cd1 Cl1'
_cell_volume   89.1
_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
  Mg  Mg2  1  0.0  0.67  0.57  1.0
  Mg  Mg3  1  0.67  0.0  0.57  1.0
  Cd  Cd0  1  0.67  0.67  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Mg2CdCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2CdCl
_chemical_formula_sum   'Mg4 Cd2 Cl2'
_cell_volume   178.2
_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
  Mg  Mg0  4  0.33  0.33  0.57  1.0
  Cd  Cd1  2  0.17  0.5  -0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Mg Mg Cd Cl
Mg Mg Cd Cl 0 2 - o o 0 2 - o + 0 1 - + o 0 3 o + o 0 3 o + + 1 2 o - o 1 2 o - + 1 3 + o o 1 3 + o + 2 3 + + o 