data_[Ca20Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.1188]
_cell_length_b [6.9051]
_cell_length_c [7.9998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca5Ag2]
_chemical_formula_sum '[Ca20 Ag8]'
_cell_volume [937.1851]
_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  0.0917  0.1138  0.9233  1.0
  Ca  Ca1  8  0.2197  0.4164  0.3136  1.0
  Ca  Ca2  4  0.0000  0.4120  0.2500  1.0
  Ag  Ag3  8  0.1090  0.2991  0.5795  1.0
]