data_[Cs4Tl12Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6333]
_cell_length_b [5.1566]
_cell_length_c [9.7701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl3Sb2]
_chemical_formula_sum '[Cs4 Tl12 Sb8]'
_cell_volume [942.7507]
_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
[
  Cs  Cs0  4  0.1524  0.0000  0.2288  1.0
  Tl  Tl1  4  0.0266  0.0000  0.6886  1.0
  Tl  Tl2  4  0.0964  0.5000  0.5177  1.0
  Tl  Tl3  4  0.1770  0.5000  0.9273  1.0
  Sb  Sb4  4  0.0083  0.5000  0.8613  1.0
  Sb  Sb5  4  0.1879  0.0000  0.7343  1.0
]