data_[K2Nd2Ge2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.6696]
_cell_length_b [6.7769]
_cell_length_c [8.7910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KNdGeS4]
_chemical_formula_sum '[K2 Nd2 Ge2 S8]'
_cell_volume [379.5021]
_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  0.2703  0.5110  0.5664  1.0
  Nd  Nd1  2  0.2279  0.4950  0.0518  1.0
  Ge  Ge2  2  0.2230  0.0266  0.8203  1.0
  S  S3  2  0.0207  0.7643  0.2255  1.0
  S  S4  2  0.0212  0.7572  0.7909  1.0
  S  S5  2  0.4208  0.0843  0.0701  1.0
  S  S6  2  0.4242  0.0286  0.6623  1.0
]