data_[Tl18Sn3Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5893]
_cell_length_b [5.5893]
_cell_length_c [32.4954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl6SnSb2]
_chemical_formula_sum '[Tl18 Sn3 Sb6]'
_cell_volume [879.1677]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1985  1.0
  Tl  Tl1  6  0.0000  0.0000  0.3039  1.0
  Tl  Tl2  6  0.0000  0.0000  0.4071  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  6  0.0000  0.0000  0.1001  1.0
]