data_[K4Tl4Sn4Se8]
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 [16.0758]
_cell_length_b [4.3076]
_cell_length_c [11.9044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTlSnSe2]
_chemical_formula_sum '[K4 Tl4 Sn4 Se8]'
_cell_volume [707.5710]
_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
[
  K  K0  4  0.2242  0.5000  0.1708  1
  Tl  Tl1  4  0.1073  0.5000  0.4610  1
  Sn  Sn2  4  0.0363  0.0000  0.8826  1
  Se  Se3  4  0.1092  0.5000  0.8094  1
  Se  Se4  4  0.1475  0.0000  0.3126  1
]