data_[Tl14In10]
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 [C2/m]
_cell_length_a [13.4233]
_cell_length_b [3.5446]
_cell_length_c [15.6025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl7In5]
_chemical_formula_sum '[Tl14 In10]'
_cell_volume [741.2182]
_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  0.0653  0.0000  0.2441  1.0
  Tl  Tl1  4  0.1642  0.0000  0.6767  1.0
  Tl  Tl2  4  0.1906  0.5000  0.0915  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  In  In4  4  0.1119  0.5000  0.8621  1.0
  In  In5  4  0.1843  0.0000  0.4345  1.0
  In  In6  2  0.0000  0.0000  0.0000  1.0
]