data_[K2In2Bi2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2134]
_cell_length_b [5.0564]
_cell_length_c [10.7350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInBiTe3]
_chemical_formula_sum '[K2 In2 Bi2 Te6]'
_cell_volume [484.7391]
_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  0.2053  0.2500  0.2297  1.0
  In  In1  2  0.1051  0.2500  0.6057  1.0
  Bi  Bi2  2  0.3285  0.7500  0.8751  1.0
  Te  Te3  2  0.1022  0.2500  0.8735  1.0
  Te  Te4  2  0.2219  0.7500  0.5353  1.0
  Te  Te5  2  0.4596  0.7500  0.1581  1.0
]