data_[Ba6Mg45Cd6]
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 [R-3m]
_cell_length_a [10.5891]
_cell_length_b [10.5891]
_cell_length_c [15.4925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Mg15Cd2]
_chemical_formula_sum '[Ba6 Mg45 Cd6]'
_cell_volume [1504.4329]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3362  1.0
  Mg  Mg1  18  0.0000  0.2922  0.0000  1.0
  Mg  Mg2  18  0.0012  0.5006  0.8462  1.0
  Mg  Mg3  9  0.0000  0.5000  0.5000  1.0
  Cd  Cd4  6  0.0000  0.0000  0.0991  1.0
]