data_[Cd1Ag1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0888]
_cell_length_b [6.6704]
_cell_length_c [9.2694]
_cell_angle_alpha [105.6461]
_cell_angle_beta [90.0559]
_cell_angle_gamma [95.3030]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdAgCl6]
_chemical_formula_sum '[Cd1 Ag1 Cl6]'
_cell_volume [242.3111]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0039  0.6273  0.8481  1.0
  Cl  Cl3  2  0.3957  0.1198  0.8303  1.0
  Cl  Cl4  2  0.4483  0.3576  0.5129  1.0
]