data_[K4Tl6W2Se12]
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
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8378]
_cell_length_b [13.9358]
_cell_length_c [7.2622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl3WSe6]
_chemical_formula_sum '[K4 Tl6 W2 Se12]'
_cell_volume [746.1717]
_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  4  0.0000  0.3257  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1431  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  W  W3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2016  0.1281  0.2190  1.0
  Se  Se5  4  0.2066  0.0000  0.7884  1.0
]