data_[Cs4Tl4Sb6]
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 [13.7486]
_cell_length_b [5.3983]
_cell_length_c [8.1513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2Sb3]
_chemical_formula_sum '[Cs4 Tl4 Sb6]'
_cell_volume [554.3698]
_cell_formula_units_Z [2]
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  0.1568  0.0000  0.7965  1.0
  Tl  Tl1  4  0.1498  0.0000  0.2745  1.0
  Sb  Sb2  4  0.0747  0.5000  0.4177  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
]