data_[Mg4Zr2Cd2]
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 [C2/m]
_cell_length_a [10.9397]
_cell_length_b [3.0508]
_cell_length_c [5.5073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2ZrCd]
_chemical_formula_sum '[Mg4 Zr2 Cd2]'
_cell_volume [176.5208]
_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  0.2391  0.5000  0.7460  1
  Zr  Zr1  2  0.0000  0.5000  0.0000  1
  Cd  Cd2  2  0.0000  0.0000  0.5000  1
]