data_[K2Tl2Cu2Se6]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2338]
_cell_length_b [4.0895]
_cell_length_c [9.5112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlCuSe3]
_chemical_formula_sum '[K2 Tl2 Cu2 Se6]'
_cell_volume [349.4463]
_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  0.1871  0.7500  0.2369  1
  Tl  Tl1  2  0.3415  0.2500  0.8774  1
  Cu  Cu2  2  0.0700  0.7500  0.5933  1
  Se  Se3  2  0.1218  0.7500  0.8562  1
  Se  Se4  2  0.1884  0.2500  0.5349  1
  Se  Se5  2  0.4604  0.2500  0.1772  1
]