data_[K2Nd2Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2476]
_cell_length_b [4.3685]
_cell_length_c [11.8964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNdGeTe3]
_chemical_formula_sum '[K2 Nd2 Ge2 Te6]'
_cell_volume [455.9535]
_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  0.2384  0.2500  0.2856  1.0
  Nd  Nd1  2  0.3595  0.7500  0.8394  1.0
  Ge  Ge2  2  0.1184  0.2500  0.5532  1.0
  Te  Te3  2  0.0935  0.2500  0.7739  1.0
  Te  Te4  2  0.3263  0.7500  0.5629  1.0
  Te  Te5  2  0.3827  0.7500  0.1101  1.0
]