data_[Ca6Mg18Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9447]
_cell_length_b [10.6878]
_cell_length_c [14.1268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3Mg9Cd2]
_chemical_formula_sum '[Ca6 Mg18 Cd4]'
_cell_volume [746.5738]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.3026  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  8  0.0000  0.2802  0.1260  1
  Mg  Mg3  8  0.0000  0.3603  0.3340  1
  Mg  Mg4  2  0.0000  0.5000  0.0000  1
  Cd  Cd5  4  0.0000  0.1884  0.5000  1
]