data_[Ca4Ag4Cl16]
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 [I4_1md]
_cell_length_a [9.2288]
_cell_length_b [9.2288]
_cell_length_c [7.8722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [CaAgCl4]
_chemical_formula_sum '[Ca4 Ag4 Cl16]'
_cell_volume [670.4760]
_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  4  0.0000  0.0000  0.5050  1.0
  Ag  Ag1  4  0.0000  0.0000  0.0003  1.0
  Cl  Cl2  8  0.0000  0.1841  0.2313  1.0
  Cl  Cl3  8  0.0000  0.1948  0.7660  1.0
]