data_[Tl12Sn4Sb8]
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 [17.9570]
_cell_length_b [4.7052]
_cell_length_c [11.6932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3SnSb2]
_chemical_formula_sum '[Tl12 Sn4 Sb8]'
_cell_volume [830.0320]
_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  0.0502  0.0000  0.2136  1.0
  Tl  Tl1  4  0.1172  0.5000  0.0261  1.0
  Tl  Tl2  4  0.2333  0.0000  0.6318  1.0
  Sn  Sn3  4  0.0899  0.5000  0.6870  1.0
  Sb  Sb4  4  0.1057  0.5000  0.4375  1.0
  Sb  Sb5  4  0.1721  0.0000  0.8747  1.0
]