data_[K1Bi2B2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7087]
_cell_length_b [7.9198]
_cell_length_c [8.1097]
_cell_angle_alpha [75.5706]
_cell_angle_beta [69.2899]
_cell_angle_gamma [70.4690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KBi2(BSe3)2]
_chemical_formula_sum '[K1 Bi2 B2 Se6]'
_cell_volume [375.6344]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Bi  Bi1  2  0.2055  0.2233  0.1173  1
  B  B2  2  0.2062  0.7535  0.0206  1
  Se  Se3  2  0.0539  0.3385  0.8295  1
  Se  Se4  2  0.2574  0.8180  0.7670  1
  Se  Se5  2  0.3772  0.7935  0.1539  1
]