data_[Cs4Tl4Cd4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6099]
_cell_length_b [4.5472]
_cell_length_c [10.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTlCdSe2]
_chemical_formula_sum '[Cs4 Tl4 Cd4 Se8]'
_cell_volume [753.8591]
_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
[
  Cs  Cs0  4  0.2347  0.0000  0.7461  1.0
  Tl  Tl1  4  0.0604  0.5000  0.3834  1.0
  Cd  Cd2  4  0.0660  0.0000  0.9343  1.0
  Se  Se3  4  0.1040  0.0000  0.2305  1.0
  Se  Se4  4  0.1169  0.5000  0.8560  1.0
]