data_[Ba1Sn1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8515]
_cell_length_b [7.3450]
_cell_length_c [8.6121]
_cell_angle_alpha [79.9248]
_cell_angle_beta [66.6362]
_cell_angle_gamma [75.4530]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSn(HCl4)2]
_chemical_formula_sum '[Ba1 Sn1 H2 Cl8]'
_cell_volume [383.7207]
_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
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.2615  0.6334  0.2288  1.0
  Cl  Cl3  2  0.2069  0.1312  0.1189  1.0
  Cl  Cl4  2  0.2310  0.6852  0.0065  1.0
  Cl  Cl5  2  0.2563  0.0730  0.7051  1.0
  Cl  Cl6  2  0.2801  0.5947  0.3823  1.0
]