data_[K2Sn2As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3345]
_cell_length_b [4.0706]
_cell_length_c [10.0576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSnAsSe3]
_chemical_formula_sum '[K2 Sn2 As2 Se6]'
_cell_volume [339.7727]
_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  0.4075  0.2500  0.3203  1.0
  Sn  Sn1  2  0.2417  0.7500  0.9821  1.0
  As  As2  2  0.0725  0.2500  0.6571  1.0
  Se  Se3  2  0.0382  0.2500  0.1906  1.0
  Se  Se4  2  0.1948  0.7500  0.5079  1.0
  Se  Se5  2  0.3619  0.2500  0.8288  1.0
]