data_Mg2AlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlCd
_chemical_formula_sum   'Mg2 Al1 Cd1'
_cell_volume   84.15
_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  0.0  0.01  1.0
  Mg  Mg3  1  0.73  0.0  0.25  1.0
  Al  Al0  1  0.0  0.0  0.9  1.0
  Cd  Cd1  1  0.73  0.0  0.47  1.0

data_Mg2AlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlCd
_chemical_formula_sum   'Mg2 Al1 Cd1'
_cell_volume   84.15
_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  0.0  0.01  1.0
  Mg  Mg1  1  0.73  0.0  0.25  1.0
  Al  Al2  1  0.0  0.0  0.9  1.0
  Cd  Cd3  1  0.73  0.0  0.47  1.0

Mg Mg Al Cd