data_[Ca2Zn22Ag2]
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/m]
_cell_length_a [5.3233]
_cell_length_b [12.7373]
_cell_length_c [6.8457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaZn11Ag]
_chemical_formula_sum '[Ca2 Zn22 Ag2]'
_cell_volume [429.6501]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  8  0.1013  0.3890  0.2160  1
  Zn  Zn2  8  0.1832  0.1788  0.3524  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Zn  Zn4  2  0.0000  0.5000  0.5000  1
  Ag  Ag5  2  0.0000  0.0000  0.5000  1
]