data_[Tl8Sn4Sb8]
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 [C2/m]
_cell_length_a [11.7512]
_cell_length_b [5.6165]
_cell_length_c [10.7369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2SnSb2]
_chemical_formula_sum '[Tl8 Sn4 Sb8]'
_cell_volume [648.2913]
_cell_formula_units_Z [4]
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  0.0057  0.0000  0.3172  1.0
  Tl  Tl1  4  0.1665  0.0000  0.0693  1.0
  Sn  Sn2  4  0.2229  0.5000  0.3536  1.0
  Sb  Sb3  4  0.0329  0.5000  0.8832  1.0
  Sb  Sb4  4  0.1427  0.5000  0.5827  1.0
]