data_[K8Sn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.8299]
_cell_length_b [8.4664]
_cell_length_c [8.2368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SnSe2]
_chemical_formula_sum '[K8 Sn4 Se8]'
_cell_volume [729.0621]
_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  0.0403  0.7385  0.5174  1.0
  K  K1  4  0.3187  0.1475  0.5056  1.0
  Sn  Sn2  4  0.3528  0.6407  0.4347  1.0
  Se  Se3  4  0.1451  0.0407  0.7829  1.0
  Se  Se4  4  0.4612  0.0407  0.2086  1.0
]