data_[Tl10In4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1186]
_cell_length_b [7.8419]
_cell_length_c [10.0974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(InCl6)2]
_chemical_formula_sum '[Tl10 In4 Cl24]'
_cell_volume [1295.1390]
_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  4  0.1936  0.5000  0.8163  1.0
  Tl  Tl1  4  0.2068  0.5000  0.3755  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  In  In3  4  0.0000  0.2497  0.0000  1.0
  Cl  Cl4  8  0.1500  0.2588  0.0735  1.0
  Cl  Cl5  8  0.1570  0.2518  0.5591  1.0
  Cl  Cl6  4  0.0001  0.0000  0.1736  1.0
  Cl  Cl7  4  0.0015  0.5000  0.1792  1.0
]