data_[Ca16Si24Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.3450]
_cell_length_b [8.6765]
_cell_length_c [14.4351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ca2Si3Ag]
_chemical_formula_sum '[Ca16 Si24 Ag8]'
_cell_volume [1045.1779]
_cell_formula_units_Z [8]
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  0.0000  0.2471  0.0000  1.0
  Ca  Ca1  8  0.2500  0.2500  0.2500  1.0
  Si  Si2  16  0.2436  0.0000  0.0809  1.0
  Si  Si3  8  0.0000  0.0000  0.1616  1.0
  Ag  Ag4  8  0.0000  0.0000  0.3334  1.0
]