data_[Li4Tl2Sn2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7185]
_cell_length_b [8.2661]
_cell_length_c [8.2673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2TlSnCl8]
_chemical_formula_sum '[Li4 Tl2 Sn2 Cl16]'
_cell_volume [662.2868]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.0484  0.5000  0.7525  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0000  0.3024  0.0000  1.0
  Cl  Cl4  4  0.0000  0.3265  0.5000  1.0
  Cl  Cl5  4  0.1781  0.0000  0.8069  1.0
  Cl  Cl6  4  0.1879  0.0000  0.2253  1.0
]