data_[Tl2In10]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.9461]
_cell_length_b [3.4762]
_cell_length_c [16.3917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TlIn5]
_chemical_formula_sum '[Tl2 In10]'
_cell_volume [338.8192]
_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  0.5000  0.0000  0.1199  1.0
  In  In1  2  0.0000  0.0000  0.3241  1.0
  In  In2  2  0.0000  0.0000  0.6599  1.0
  In  In3  2  0.0000  0.0000  0.9902  1.0
  In  In4  2  0.5000  0.0000  0.4499  1.0
  In  In5  2  0.5000  0.0000  0.7894  1.0
]