data_[Mg2Zn2Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3694]
_cell_length_b [8.0054]
_cell_length_c [5.2516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgZnCd2]
_chemical_formula_sum '[Mg2 Zn2 Cd4]'
_cell_volume [170.9151]
_cell_formula_units_Z [2]
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  2  0.0692  0.7500  0.1260  1.0
  Zn  Zn1  2  0.2337  0.2500  0.4669  1.0
  Cd  Cd2  4  0.3498  0.5604  0.7209  1.0
]