data_[Ca20Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.7633]
_cell_length_b [6.4790]
_cell_length_c [9.1687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca5Cd2]
_chemical_formula_sum '[Ca20 Cd8]'
_cell_volume [985.7847]
_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  0.0953  0.1540  0.4252  1.0
  Ca  Ca1  8  0.2216  0.3913  0.8229  1.0
  Ca  Ca2  4  0.0000  0.3476  0.7500  1.0
  Cd  Cd3  8  0.1016  0.3234  0.0780  1.0
]