data_[Tl4Cd2Sn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.8563]
_cell_length_b [9.4364]
_cell_length_c [7.4704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2CdSnSe4]
_chemical_formula_sum '[Tl4 Cd2 Sn2 Se8]'
_cell_volume [527.3640]
_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
[
  Tl  Tl0  2  0.0000  0.5847  0.5000  1.0
  Tl  Tl1  2  0.0000  0.8045  0.0000  1.0
  Cd  Cd2  2  0.0000  0.0145  0.5000  1.0
  Sn  Sn3  2  0.0000  0.2548  0.0000  1.0
  Se  Se4  4  0.1861  0.0998  0.9448  1.0
  Se  Se5  4  0.2174  0.3772  0.4068  1.0
]