data_[K1Sc1Sn2Cl8]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3453]
_cell_length_b [6.8644]
_cell_length_c [8.6954]
_cell_angle_alpha [93.8530]
_cell_angle_beta [90.9787]
_cell_angle_gamma [92.8026]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSc(SnCl4)2]
_chemical_formula_sum '[K1 Sc1 Sn2 Cl8]'
_cell_volume [377.3585]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4907  0.5302  0.7572  1.0
  Cl  Cl3  2  0.2090  0.1728  0.8070  1.0
  Cl  Cl4  2  0.2174  0.7005  0.9598  1.0
  Cl  Cl5  2  0.2557  0.1256  0.2169  1.0
  Cl  Cl6  2  0.2791  0.6368  0.5254  1.0
]