data_[Ag18Se3Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.4340]
_cell_length_b [11.4340]
_cell_length_c [13.0385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag6SeCl12]
_chemical_formula_sum '[Ag18 Se3 Cl36]'
_cell_volume [1476.2375]
_cell_formula_units_Z [3]
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  0.0198  0.7641  0.6435  1
  Se  Se1  3  0.0000  0.0000  0.0000  1
  Cl  Cl2  18  0.0027  0.1736  0.1109  1
  Cl  Cl3  18  0.0105  0.8141  0.3761  1
]