data_[Ca8Mg12Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2908]
_cell_length_b [17.3682]
_cell_length_c [8.4171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ca2Mg3Cd4]
_chemical_formula_sum '[Ca8 Mg12 Cd16]'
_cell_volume [919.6495]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  8  0.0000  0.0992  0.6015  1.0
  Mg  Mg1  8  0.2500  0.2372  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  8  0.0000  0.1698  0.9809  1.0
  Cd  Cd4  8  0.2500  0.0677  0.2500  1.0
]