data_[Ba6Mg6Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1820]
_cell_length_b [10.3404]
_cell_length_c [15.3610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Mg3Cd8]
_chemical_formula_sum '[Ba6 Mg6 Cd16]'
_cell_volume [823.1006]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.2071  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  4  0.0000  0.1832  0.0000  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd4  8  0.0000  0.2894  0.3662  1.0
  Cd  Cd5  8  0.0000  0.3539  0.1613  1.0
]