data_Mg2ZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   132.71
_cell_angle_beta   132.71
_cell_angle_gamma   69.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZnCd
_chemical_formula_sum   'Mg2 Zn1 Cd1'
_cell_volume   80.6
_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
  Mg  Mg2  1  0.14  0.0  0.2  1.0
  Zn  Zn3  1  0.0  0.0  0.4  1.0
  Cd  Cd0  1  0.0  0.14  0.2  1.0

data_Mg2ZnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.34
_cell_angle_alpha   113.64
_cell_angle_beta   113.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZnCd
_chemical_formula_sum   'Mg2 Zn1 Cd1'
_cell_volume   80.6
_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
  Mg  Mg1  1  0.2  0.06  0.06  1.0
  Zn  Zn2  1  0.4  0.4  0.4  1.0
  Cd  Cd3  1  0.06  0.2  0.06  1.0

Mg Mg Zn Cd
Mg Mg Zn Cd 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 