data_[Ba1In1Sn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.7379]
_cell_length_b [6.8414]
_cell_length_c [8.9221]
_cell_angle_alpha [89.6112]
_cell_angle_beta [89.9861]
_cell_angle_gamma [88.7358]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaIn(SnCl4)2]
_chemical_formula_sum '[Ba1 In1 Sn2 Cl8]'
_cell_volume [411.1674]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4868  0.4862  0.7624  1.0
  Cl  Cl3  2  0.1950  0.7925  0.7751  1.0
  Cl  Cl4  2  0.2288  0.8279  0.2270  1.0
  Cl  Cl5  2  0.2812  0.2991  0.9693  1.0
  Cl  Cl6  2  0.3013  0.3294  0.5298  1.0
]