data_[Ca4Ag6Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1083]
_cell_length_b [7.9277]
_cell_length_c [6.8990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ag3Cl8]
_chemical_formula_sum '[Ca4 Ag6 Cl16]'
_cell_volume [711.8915]
_cell_formula_units_Z [2]
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  4  0.2335  0.5000  0.4998  1
  Ag  Ag1  4  0.0000  0.2489  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  8  0.1416  0.2326  0.6528  1
  Cl  Cl4  4  0.1037  0.5000  0.1578  1
  Cl  Cl5  4  0.1078  0.0000  0.1640  1
]