data_[Ca8Zn12Ag20]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4740]
_cell_length_b [12.0682]
_cell_length_c [5.9012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2Zn3Ag5]
_chemical_formula_sum '[Ca8 Zn12 Ag20]'
_cell_volume [837.6090]
_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  0.1383  0.2638  0.6612  1.0
  Zn  Zn1  8  0.1264  0.3681  0.1476  1.0
  Zn  Zn2  4  0.0000  0.0285  0.7500  1.0
  Ag  Ag3  8  0.0972  0.1547  0.1440  1.0
  Ag  Ag4  8  0.2377  0.0022  0.5007  1.0
  Ag  Ag5  4  0.0000  0.4773  0.7500  1.0
]