data_[Ba1Li2Sn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2776]
_cell_length_b [8.9171]
_cell_length_c [6.2857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaLi2SnCl8]
_chemical_formula_sum '[Ba1 Li2 Sn1 Cl8]'
_cell_volume [347.1428]
_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  0.5000  0.0000  1.0
  Li  Li1  2  0.5000  0.3138  0.5000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2222  0.2077  0.2112  1.0
  Cl  Cl4  2  0.2404  0.0000  0.7472  1.0
  Cl  Cl5  2  0.3187  0.5000  0.6754  1.0
]