data_[Ca16Mg4Cd2]
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 [C2/m]
_cell_length_a [18.9859]
_cell_length_b [5.6839]
_cell_length_c [7.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8Mg2Cd]
_chemical_formula_sum '[Ca16 Mg4 Cd2]'
_cell_volume [788.4208]
_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  0.0208  0.0000  0.7788  1
  Ca  Ca1  4  0.0974  0.5000  0.4410  1
  Ca  Ca2  4  0.1606  0.5000  0.9495  1
  Ca  Ca3  4  0.1948  0.0000  0.2775  1
  Mg  Mg4  4  0.1816  0.0000  0.6951  1
  Cd  Cd5  2  0.0000  0.5000  0.0000  1
]