data_[Ba4Mg6Cd4]
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 [12.7760]
_cell_length_b [4.8080]
_cell_length_c [8.5256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Mg3Cd2]
_chemical_formula_sum '[Ba4 Mg6 Cd4]'
_cell_volume [456.3265]
_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  0.1363  0.0000  0.7671  1.0
  Mg  Mg1  4  0.1381  0.5000  0.4293  1.0
  Mg  Mg2  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd3  4  0.1402  0.0000  0.2071  1.0
]