data_[K2Sn2Se6]
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 [P-1]
_cell_length_a [7.0990]
_cell_length_b [7.4837]
_cell_length_c [7.9713]
_cell_angle_alpha [114.5744]
_cell_angle_beta [101.1320]
_cell_angle_gamma [108.3046]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSnSe3]
_chemical_formula_sum '[K2 Sn2 Se6]'
_cell_volume [338.9770]
_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  0.3909  0.3508  0.1578  1.0
  Sn  Sn1  2  0.2084  0.9193  0.4247  1.0
  Se  Se2  2  0.0690  0.4736  0.8663  1.0
  Se  Se3  2  0.1159  0.2258  0.4324  1.0
  Se  Se4  2  0.4966  0.0255  0.7473  1.0
]