data_[Mg12Zr2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9941]
_cell_length_b [6.2739]
_cell_length_c [11.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg6ZrCd]
_chemical_formula_sum '[Mg12 Zr2 Cd2]'
_cell_volume [355.7801]
_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  4  0.0000  0.2412  0.0806  1
  Mg  Mg1  4  0.5000  0.2498  0.9226  1
  Mg  Mg2  2  0.0000  0.0000  0.3313  1
  Mg  Mg3  2  0.0000  0.0000  0.8223  1
  Zr  Zr4  2  0.5000  0.0000  0.1752  1
  Cd  Cd5  2  0.5000  0.0000  0.6647  1
]