data_[K2Ge2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  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 [9.5065]
_cell_length_b [4.6889]
_cell_length_c [10.9852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGeBiTe3]
_chemical_formula_sum '[K2 Ge2 Bi2 Te6]'
_cell_volume [462.9264]
_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  0.2216  0.2500  0.2466  1.0
  Ge  Ge1  2  0.1065  0.2500  0.6231  1.0
  Bi  Bi2  2  0.3131  0.7500  0.8913  1.0
  Te  Te3  2  0.0943  0.2500  0.8970  1.0
  Te  Te4  2  0.1972  0.7500  0.5081  1.0
  Te  Te5  2  0.4787  0.7500  0.1700  1.0
]