data_[K2Sn6Bi4Se12]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0135]
_cell_length_b [4.3241]
_cell_length_c [8.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSn3(BiSe3)2]
_chemical_formula_sum '[K2 Sn6 Bi4 Se12]'
_cell_volume [717.9373]
_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  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.1689  0.0000  0.8282  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.1629  0.0000  0.3391  1.0
  Se  Se4  4  0.0127  0.0000  0.2748  1.0
  Se  Se5  4  0.1649  0.5000  0.6018  1.0
  Se  Se6  4  0.1790  0.5000  0.1214  1.0
]