data_[Sc1In1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  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 [6.3318]
_cell_length_b [6.8797]
_cell_length_c [8.7834]
_cell_angle_alpha [95.0006]
_cell_angle_beta [90.3174]
_cell_angle_gamma [92.7035]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ScIn(SnCl4)2]
_chemical_formula_sum '[Sc1 In1 Sn2 Cl8]'
_cell_volume [380.7144]
_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
[
  Sc  Sc0  1  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.4914  0.5288  0.7567  1.0
  Cl  Cl3  2  0.2110  0.1676  0.8085  1.0
  Cl  Cl4  2  0.2195  0.6996  0.9610  1.0
  Cl  Cl5  2  0.2531  0.1297  0.2150  1.0
  Cl  Cl6  2  0.2776  0.6365  0.5325  1.0
]