data_[Tl8Cd4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9343]
_cell_length_b [7.7305]
_cell_length_c [8.3610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2CdSe2]
_chemical_formula_sum '[Tl8 Cd4 Se8]'
_cell_volume [637.9390]
_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
[
  Tl  Tl0  4  0.0593  0.2311  0.0241  1.0
  Tl  Tl1  4  0.3254  0.6524  0.9395  1.0
  Cd  Cd2  4  0.3754  0.0926  0.8275  1.0
  Se  Se3  4  0.1427  0.5764  0.2437  1.0
  Se  Se4  4  0.3969  0.1143  0.1587  1.0
]