data_MgCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   16.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd
_chemical_formula_sum   'Mg3 Cd3'
_cell_volume   135.59
_cell_formula_units_Z   3
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  0.56  0.9  0.7  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.56  0.9  0.41  1.0
  Cd  Cd3  1  0.56  0.9  0.06  1.0
  Cd  Cd4  1  0.0  0.0  0.35  1.0
  Cd  Cd5  1  0.0  0.0  0.76  1.0

data_MgCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   16.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd
_chemical_formula_sum   'Mg3 Cd3'
_cell_volume   135.59
_cell_formula_units_Z   3
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  0.0  1.0
  Mg  Mg1  1  0.56  0.9  0.41  1.0
  Mg  Mg2  1  0.56  0.9  0.7  1.0
  Cd  Cd3  1  0.0  0.0  0.35  1.0
  Cd  Cd4  1  0.0  0.0  0.76  1.0
  Cd  Cd5  1  0.56  0.9  0.06  1.0

Mg Mg Mg Cd Cd Cd