data_[Tl2In4Sn4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [C2/m]
_cell_length_a [7.0153]
_cell_length_b [9.0609]
_cell_length_c [13.3705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlIn2Sn2Cl7]
_chemical_formula_sum '[Tl2 In4 Sn4 Cl14]'
_cell_volume [840.9141]
_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
[
  Tl  Tl0  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.1351  0.0000  0.3554  1.0
  Sn  Sn2  4  0.0964  0.5000  0.2111  1.0
  Cl  Cl3  8  0.1343  0.1942  0.8098  1.0
  Cl  Cl4  4  0.2373  0.0000  0.5845  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0000  1.0
]