data_[Ca6Cd36Ag15]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.0308]
_cell_length_b [10.0308]
_cell_length_c [14.6358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca2Cd12Ag5]
_chemical_formula_sum '[Ca6 Cd36 Ag15]'
_cell_volume [1275.3161]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3336  1
  Cd  Cd1  18  0.0000  0.2959  0.0000  1
  Cd  Cd2  18  0.0003  0.5001  0.8512  1
  Ag  Ag3  9  0.0000  0.5000  0.5000  1
  Ag  Ag4  6  0.0000  0.0000  0.1034  1
]