data_[Mg10Zr2Cd12]
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 [Cmmm]
_cell_length_a [4.7337]
_cell_length_b [14.4863]
_cell_length_c [7.5273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg5ZrCd6]
_chemical_formula_sum '[Mg10 Zr2 Cd12]'
_cell_volume [516.1679]
_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  0.3271  0.5000  1
  Mg  Mg1  4  0.0000  0.3425  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Zr  Zr3  2  0.0000  0.0000  0.0000  1
  Cd  Cd4  8  0.0000  0.1684  0.2433  1
  Cd  Cd5  4  0.0000  0.5000  0.2639  1
]