data_[Ca8Zn8Ag4]
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 [9.9989]
_cell_length_b [5.9247]
_cell_length_c [8.1535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2Zn2Ag]
_chemical_formula_sum '[Ca8 Zn8 Ag4]'
_cell_volume [471.3255]
_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  0.1484  0.3680  0.1477  1.0
  Zn  Zn1  8  0.1359  0.1368  0.5006  1.0
  Ag  Ag2  4  0.0000  0.1509  0.7500  1.0
]