data_[K6In2Bi4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  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 [7.3842]
_cell_length_b [12.7959]
_cell_length_c [8.1272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3In(BiSe3)2]
_chemical_formula_sum '[K6 In2 Bi4 Se12]'
_cell_volume [731.6523]
_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  4  0.0000  0.1713  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3339  0.0000  1.0
  Se  Se4  8  0.2279  0.8408  0.2065  1.0
  Se  Se5  4  0.2484  0.0000  0.7925  1.0
]