data_[Na3Sc3In6Cl18]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4296]
_cell_length_b [7.4296]
_cell_length_c [18.0268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaSc(InCl3)2]
_chemical_formula_sum '[Na3 Sc3 In6 Cl18]'
_cell_volume [861.7562]
_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  0.1841  1.0
  Sc  Sc1  3  0.0000  0.0000  0.6809  1.0
  In  In2  3  0.0000  0.0000  0.4581  1.0
  In  In3  3  0.0000  0.0000  0.9569  1.0
  Cl  Cl4  9  0.0172  0.4433  0.4231  1.0
  Cl  Cl5  9  0.1127  0.7483  0.2627  1.0
]