data_[K2Tl4Sn4Se8]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0220]
_cell_length_b [5.4976]
_cell_length_c [6.8472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTl2(SnSe2)2]
_chemical_formula_sum '[K2 Tl4 Sn4 Se8]'
_cell_volume [663.5174]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1964  0.0000  0.3922  1.0
  Sn  Sn2  4  0.1732  0.5000  0.9563  1.0
  Se  Se3  4  0.1049  0.5000  0.2565  1.0
  Se  Se4  4  0.1714  0.0000  0.8476  1.0
]