data_[K10Si2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.6232]
_cell_length_b [10.2378]
_cell_length_c [7.7224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K5SiSe4]
_chemical_formula_sum '[K10 Si2 Se8]'
_cell_volume [760.8142]
_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  8  0.2454  0.1930  0.2643  1
  K  K1  2  0.0000  0.5000  0.1561  1
  Si  Si2  2  0.0000  0.0000  0.7890  1
  Se  Se3  4  0.0000  0.1944  0.9670  1
  Se  Se4  4  0.2089  0.0000  0.6150  1
]