data_[Ba2Mg18Cd6]
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 [C2/m]
_cell_length_a [5.9555]
_cell_length_b [14.7098]
_cell_length_c [7.8862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(Mg3Cd)3]
_chemical_formula_sum '[Ba2 Mg18 Cd6]'
_cell_volume [643.1143]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.1055  0.3881  0.2208  1
  Mg  Mg2  8  0.1712  0.1788  0.3540  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Cd  Cd4  4  0.2500  0.2500  0.0000  1
  Cd  Cd5  2  0.0000  0.5000  0.5000  1
]