data_[Tl4In8H4Cl16]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.9292]
_cell_length_b [9.2223]
_cell_length_c [12.7479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TlIn2HCl4]
_chemical_formula_sum '[Tl4 In8 H4 Cl16]'
_cell_volume [1049.7606]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.0000  0.5000  1
  In  In2  4  0.2500  0.2500  0.7500  1
  H  H3  4  0.2500  0.2500  0.2500  1
  Cl  Cl4  8  0.0000  0.0644  0.7494  1
  Cl  Cl5  8  0.2478  0.2500  0.5288  1
]