data_[K4Sn6Se16]
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 [C2/m]
_cell_length_a [17.0860]
_cell_length_b [7.5872]
_cell_length_c [7.0506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sn3Se8]
_chemical_formula_sum '[K4 Sn6 Se16]'
_cell_volume [868.2664]
_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  4  0.2356  0.5000  0.6942  1
  Sn  Sn1  4  0.0000  0.2527  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.1011  0.2210  0.3872  1
  Se  Se4  4  0.0964  0.0000  0.8964  1
  Se  Se5  4  0.1005  0.5000  0.9423  1
]