data_[K2Tl2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [9.3978]
_cell_length_b [4.4493]
_cell_length_c [11.5352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlPbSe3]
_chemical_formula_sum '[K2 Tl2 Pb2 Se6]'
_cell_volume [467.5401]
_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
[
  K  K0  2  0.1817  0.2500  0.1636  1.0
  Tl  Tl1  2  0.0821  0.2500  0.6293  1.0
  Pb  Pb2  2  0.3591  0.7500  0.8756  1.0
  Se  Se3  2  0.0938  0.2500  0.8556  1.0
  Se  Se4  2  0.1942  0.7500  0.5344  1.0
  Se  Se5  2  0.4237  0.7500  0.1276  1.0
]