data_[Ba2Mg6Cd3]
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 [P-62m]
_cell_length_a [8.9227]
_cell_length_b [8.9227]
_cell_length_c [4.8390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ba2(Mg2Cd)3]
_chemical_formula_sum '[Ba2 Mg6 Cd3]'
_cell_volume [333.6359]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0000  1.0
  Mg  Mg1  3  0.0000  0.2716  0.5000  1.0
  Mg  Mg2  3  0.0000  0.8030  0.0000  1.0
  Cd  Cd3  3  0.0000  0.6114  0.5000  1.0
]