data_[Ca3Cd6Ag27]
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 [5.6388]
_cell_length_b [5.6388]
_cell_length_c [27.1350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaCd2Ag9]
_chemical_formula_sum '[Ca3 Cd6 Ag27]'
_cell_volume [747.1887]
_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  3  0.0000  0.0000  0.0000  1
  Cd  Cd1  6  0.0000  0.0000  0.1445  1
  Ag  Ag2  18  0.0048  0.5024  0.9142  1
  Ag  Ag3  6  0.0000  0.0000  0.3338  1
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1
]