data_[Ca6Zn16Ag6]
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 [Immm]
_cell_length_a [4.3869]
_cell_length_b [9.4257]
_cell_length_c [13.4525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca3Zn8Ag3]
_chemical_formula_sum '[Ca6 Zn16 Ag6]'
_cell_volume [556.2556]
_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  4  0.0000  0.0000  0.1909  1.0
  Ca  Ca1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2758  0.3665  1.0
  Zn  Zn3  8  0.0000  0.3623  0.1740  1.0
  Ag  Ag4  4  0.0000  0.2154  0.0000  1.0
  Ag  Ag5  2  0.0000  0.5000  0.5000  1.0
]