data_[Cs2Tl2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.6726]
_cell_length_b [4.7547]
_cell_length_c [8.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsTlSn]
_chemical_formula_sum '[Cs2 Tl2 Sn2]'
_cell_volume [274.6835]
_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  1  0.6366  0.5000  0.3761  1
  Cs  Cs1  1  0.9950  0.5000  0.0786  1
  Tl  Tl2  1  0.0558  0.0000  0.7203  1
  Tl  Tl3  1  0.3617  0.5000  0.8096  1
  Sn  Sn4  1  0.2662  0.0000  0.4678  1
  Sn  Sn5  1  0.6045  0.0000  0.7817  1
]