data_[Tl4In15Sb1]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9846]
_cell_length_b [4.9846]
_cell_length_c [22.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tl4In15Sb]
_chemical_formula_sum '[Tl4 In15 Sb1]'
_cell_volume [562.1743]
_cell_formula_units_Z [1]
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  0.1994  1
  Tl  Tl1  2  0.0000  0.0000  0.4002  1
  In  In2  4  0.0000  0.5000  0.0959  1
  In  In3  4  0.0000  0.5000  0.2989  1
  In  In4  2  0.0000  0.5000  0.5000  1
  In  In5  2  0.5000  0.5000  0.1971  1
  In  In6  2  0.5000  0.5000  0.3993  1
  In  In7  1  0.5000  0.5000  0.0000  1
  Sb  Sb8  1  0.0000  0.0000  0.0000  1
]