data_[Na3Sc3Ag6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.8472]
_cell_length_b [6.8472]
_cell_length_c [18.4070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaSc(AgCl3)2]
_chemical_formula_sum '[Na3 Sc3 Ag6 Cl18]'
_cell_volume [747.3700]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1810  1.0
  Sc  Sc1  3  0.0000  0.0000  0.6763  1.0
  Ag  Ag2  3  0.0000  0.0000  0.4732  1.0
  Ag  Ag3  3  0.0000  0.0000  0.9784  1.0
  Cl  Cl4  9  0.0152  0.3707  0.4177  1.0
  Cl  Cl5  9  0.0448  0.6751  0.2594  1.0
]