data_[Mg22Cd18Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.6134]
_cell_length_b [20.4765]
_cell_length_c [3.3148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg11Cd9Ni4]
_chemical_formula_sum '[Mg22 Cd18 Ni8]'
_cell_volume [924.0185]
_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  8  0.2495  0.1689  0.0000  1
  Mg  Mg1  4  0.0000  0.1579  0.0000  1
  Mg  Mg2  4  0.0000  0.3721  0.0000  1
  Mg  Mg3  4  0.1885  0.5000  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
  Cd  Cd5  8  0.1088  0.2615  0.5000  1
  Cd  Cd6  8  0.1495  0.0732  0.5000  1
  Cd  Cd7  2  0.0000  0.5000  0.5000  1
  Ni  Ni8  8  0.1452  0.4023  0.5000  1
]