data_[Cs4Tl4Pb4Se8]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9714]
_cell_length_b [4.8815]
_cell_length_c [10.1439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTlPbSe2]
_chemical_formula_sum '[Cs4 Tl4 Pb4 Se8]'
_cell_volume [918.6331]
_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  0.1787  0.5000  0.6489  1.0
  Tl  Tl1  4  0.1884  0.5000  0.0160  1.0
  Pb  Pb2  4  0.0730  0.0000  0.1768  1.0
  Se  Se3  4  0.0908  0.0000  0.8998  1.0
  Se  Se4  4  0.1623  0.5000  0.2912  1.0
]