data_[Cs2Tl4Cd3Sn1]
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
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.3674]
_cell_length_b [5.3674]
_cell_length_c [12.6120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Cs2Tl4Cd3Sn]
_chemical_formula_sum '[Cs2 Tl4 Cd3 Sn1]'
_cell_volume [363.3376]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.7480  1.0
  Tl  Tl1  2  0.0000  0.5000  0.3705  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  1  0.5000  0.5000  0.0000  1.0
  Cd  Cd4  2  0.0000  0.5000  0.1255  1.0
  Cd  Cd5  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn6  1  0.5000  0.5000  0.5000  1.0
]