data_[K4Ge2Bi2Te8]
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 [Pmn2_1]
_cell_length_a [10.6312]
_cell_length_b [9.6723]
_cell_length_c [7.1771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2GeBiTe4]
_chemical_formula_sum '[K4 Ge2 Bi2 Te8]'
_cell_volume [738.0076]
_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  0.2500  0.3360  0.4397  1
  Ge  Ge1  2  0.0000  0.1623  0.9992  1
  Bi  Bi2  2  0.0000  0.8262  0.4929  1
  Te  Te3  4  0.2284  0.2934  0.9315  1
  Te  Te4  2  0.0000  0.1159  0.3702  1
  Te  Te5  2  0.0000  0.8915  0.8952  1
]