data_[Ca3Zn6Cd3Ag12]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8146]
_cell_length_b [4.8146]
_cell_length_c [22.8668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaZn2CdAg4]
_chemical_formula_sum '[Ca3 Zn6 Cd3 Ag12]'
_cell_volume [459.0388]
_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
  Zn  Zn1  6  0.0000  0.0000  0.2554  1
  Cd  Cd2  3  -0.0000  -0.0000  0.5000  1
  Ag  Ag3  6  0.0000  0.0000  0.1331  1
  Ag  Ag4  6  0.0000  0.0000  0.3791  1
]