data_Mg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   15.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Cd
_chemical_formula_sum   'Mg4 Cd2'
_cell_volume   135.03
_cell_formula_units_Z   2
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  Mg0  1  0.0  0.83  0.2  1.0
  Mg  Mg1  1  0.0  0.83  0.07  1.0
  Mg  Mg2  1  0.58  0.92  0.45  1.0
  Mg  Mg3  1  0.58  0.92  0.31  1.0
  Cd  Cd4  1  0.58  0.92  0.64  1.0
  Cd  Cd5  1  0.0  0.83  0.88  1.0

data_Mg2Cd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   15.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Cd
_chemical_formula_sum   'Mg4 Cd2'
_cell_volume   135.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Mg0  2  0.29  0.54  0.05  1.0
  Mg  Mg1  2  0.29  0.54  0.19  1.0
  Cd  Cd2  2  0.29  0.54  0.38  1.0

Mg Mg Mg Mg Cd Cd