data_Mg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.81
_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   'Mg2 Cd1'
_cell_volume   66.3
_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  Mg1  1  0.0  0.94  0.24  1.0
  Mg  Mg2  1  0.68  0.97  0.57  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Mg2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.81
_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   'Mg2 Cd1'
_cell_volume   66.3
_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  Mg0  1  0.0  0.94  0.24  1.0
  Mg  Mg1  1  0.68  0.97  0.57  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

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