data_[Ag18Sb6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6174]
_cell_length_b [11.6174]
_cell_length_c [13.6930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag3SbCl6]
_chemical_formula_sum '[Ag18 Sb6 Cl36]'
_cell_volume [1600.4653]
_cell_formula_units_Z [6]
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
[
  Ag  Ag0  18  0.0497  0.2751  0.7035  1.0
  Sb  Sb1  3  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  3  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  18  0.0148  0.2012  0.8939  1.0
  Cl  Cl4  18  0.0168  0.1902  0.3802  1.0
]