data_[Ca24Al4Ag8]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.2896]
_cell_length_b [13.2364]
_cell_length_c [15.9666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ca6AlAg2]
_chemical_formula_sum '[Ca24 Al4 Ag8]'
_cell_volume [1117.9092]
_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  16  0.0000  0.1353  0.3319  1
  Ca  Ca1  8  0.0000  0.1392  0.0000  1
  Al  Al2  4  0.0000  0.0000  0.5000  1
  Ag  Ag3  8  0.0000  0.0000  0.1597  1
]