data_[Ca24Zn8Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.1712]
_cell_length_b [10.3329]
_cell_length_c [10.9380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca6Zn2Cd]
_chemical_formula_sum '[Ca24 Zn8 Cd4]'
_cell_volume [1149.5700]
_cell_formula_units_Z [4]
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  8  0.0000  0.2005  0.2445  1.0
  Ca  Ca1  8  0.2054  0.5000  0.1741  1.0
  Ca  Ca2  8  0.2238  0.3162  0.5000  1.0
  Zn  Zn3  4  0.0000  0.3611  0.0000  1.0
  Zn  Zn4  4  0.0000  0.5000  0.3816  1.0
  Cd  Cd5  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd6  2  0.0000  0.0000  0.5000  1.0
]