data_[K8Bi4Te4Se16]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3631]
_cell_length_b [12.3682]
_cell_length_c [8.7019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2BiTeSe4]
_chemical_formula_sum '[K8 Bi4 Te4 Se16]'
_cell_volume [1007.6672]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.0000  1.0
  K  K1  4  0.2500  0.2500  0.5000  1.0
  Bi  Bi2  4  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.2500  0.2500  0.0000  1.0
  Se  Se4  8  0.0260  0.2394  0.0044  1.0
  Se  Se5  8  0.2217  0.0187  0.9577  1.0
]