data_[K3Sc3Ag6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0188]
_cell_length_b [7.0188]
_cell_length_c [19.0166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KSc(AgCl3)2]
_chemical_formula_sum '[K3 Sc3 Ag6 Cl18]'
_cell_volume [811.3237]
_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
[
  K  K0  3  0.0000  0.0000  0.8114  1.0
  Sc  Sc1  3  0.0000  0.0000  0.3257  1.0
  Ag  Ag2  3  0.0000  0.0000  0.0088  1.0
  Ag  Ag3  3  0.0000  0.0000  0.5246  1.0
  Cl  Cl4  9  0.0012  0.3052  0.2549  1.0
  Cl  Cl5  9  0.0747  0.7066  0.0750  1.0
]