data_[Ca2Al16Zn2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  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 [8.4004]
_cell_length_b [5.4313]
_cell_length_c [10.1598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAl8ZnAg2]
_chemical_formula_sum '[Ca2 Al16 Zn2 Ag4]'
_cell_volume [462.2509]
_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  0.5000  1
  Al  Al1  8  0.0809  0.2498  0.8043  1
  Al  Al2  4  0.1587  0.5000  0.5939  1
  Al  Al3  4  0.1676  0.5000  0.0374  1
  Zn  Zn4  2  0.0000  0.0000  0.0000  1
  Ag  Ag5  4  0.1754  0.5000  0.3266  1
]