data_[K2Si2Bi2Se8]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8449]
_cell_length_b [7.0998]
_cell_length_c [9.1387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSiBiSe4]
_chemical_formula_sum '[K2 Si2 Bi2 Se8]'
_cell_volume [423.1060]
_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  0.2626  0.2500  0.0632  1
  Si  Si1  2  0.2211  0.7500  0.3242  1
  Bi  Bi2  2  0.2337  0.2500  0.5474  1
  Se  Se3  4  0.0018  0.5009  0.7200  1
  Se  Se4  2  0.4205  0.7500  0.1657  1
  Se  Se5  2  0.4232  0.7500  0.5745  1
]