data_[Ca16Mg2Cd4]
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 [19.2218]
_cell_length_b [5.3310]
_cell_length_c [8.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8MgCd2]
_chemical_formula_sum '[Ca16 Mg2 Cd4]'
_cell_volume [773.9389]
_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  0.0306  0.0000  0.7718  1.0
  Ca  Ca1  4  0.0970  0.5000  0.4662  1.0
  Ca  Ca2  4  0.1729  0.5000  0.9516  1.0
  Ca  Ca3  4  0.1902  0.0000  0.2904  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd5  4  0.1844  0.0000  0.6902  1.0
]