data_[Ba6Mg12Cd10]
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 [Pmmn]
_cell_length_a [4.8432]
_cell_length_b [14.3999]
_cell_length_c [12.3185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba3Mg6Cd5]
_chemical_formula_sum '[Ba6 Mg12 Cd10]'
_cell_volume [859.1070]
_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  0.3385  0.7505  1
  Ba  Ba1  2  0.0000  0.0000  0.7419  1
  Mg  Mg2  4  0.0000  0.1698  0.9939  1
  Mg  Mg3  4  0.0000  0.3047  0.4174  1
  Mg  Mg4  2  0.0000  0.5000  0.0089  1
  Mg  Mg5  2  0.0000  0.5000  0.5016  1
  Cd  Cd6  4  0.0000  0.1068  0.4673  1
  Cd  Cd7  4  0.0000  0.3308  0.1566  1
  Cd  Cd8  2  0.0000  0.0000  0.1349  1
]