data_[Ca8Ag28]
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 [Cmcm]
_cell_length_a [9.5700]
_cell_length_b [5.6438]
_cell_length_c [14.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca2Ag7]
_chemical_formula_sum '[Ca8 Ag28]'
_cell_volume [766.5121]
_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  0.0000  0.3209  0.1143  1.0
  Ag  Ag1  16  0.1633  0.1713  0.5755  1.0
  Ag  Ag2  8  0.2497  0.4225  0.7500  1.0
  Ag  Ag3  4  0.0000  0.1711  0.7500  1.0
]