data_[Cs1Sc1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.0261]
_cell_length_b [7.0797]
_cell_length_c [9.2095]
_cell_angle_alpha [89.3389]
_cell_angle_beta [89.7041]
_cell_angle_gamma [61.3817]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSc(SnCl4)2]
_chemical_formula_sum '[Cs1 Sc1 Sn2 Cl8]'
_cell_volume [402.1130]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.3373  0.3308  0.1444  1.0
  Cl  Cl3  2  0.0592  0.6880  0.8436  1.0
  Cl  Cl4  2  0.2584  0.0621  0.8443  1.0
  Cl  Cl5  2  0.3066  0.7508  0.1610  1.0
  Cl  Cl6  2  0.3393  0.3206  0.4129  1.0
]