data_[Ca4Al4Zn12Ag4]
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 [Cmcm]
_cell_length_a [6.3409]
_cell_length_b [13.2398]
_cell_length_c [5.6957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaAlZn3Ag]
_chemical_formula_sum '[Ca4 Al4 Zn12 Ag4]'
_cell_volume [478.1698]
_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  4  0.0000  0.2936  0.7500  1
  Al  Al1  4  0.0000  0.0685  0.7500  1
  Zn  Zn2  8  0.1945  0.5000  0.0000  1
  Zn  Zn3  4  0.0000  0.1374  0.2500  1
  Ag  Ag4  4  0.0000  0.3416  0.2500  1
]