data_MgZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Cd
_chemical_formula_sum   'Mg1 Zn2 Cd1'
_cell_volume   74.52
_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  0.0  0.0  1.0
  Zn  Zn2  1  0.47  0.03  0.56  1.0
  Zn  Zn3  1  0.47  0.97  0.56  1.0
  Cd  Cd0  1  0.94  0.0  0.0  1.0

data_MgZn2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   108.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Cd
_chemical_formula_sum   'Mg1 Zn2 Cd1'
_cell_volume   74.52
_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  0.0  1.0
  Zn  Zn1  1  0.56  0.47  0.97  1.0
  Zn  Zn2  1  0.56  0.47  0.03  1.0
  Cd  Cd3  1  0.0  0.94  0.0  1.0

Mg Zn Zn Cd