data_[K2Gd2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Gd  1.2000  1.8000  1.0750
  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 [6.5712]
_cell_length_b [6.7353]
_cell_length_c [8.7194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KGdGeS4]
_chemical_formula_sum '[K2 Gd2 Ge2 S8]'
_cell_volume [369.0792]
_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  0.2683  0.5096  0.0664  1.0
  Gd  Gd1  2  0.2290  0.4933  0.5509  1.0
  Ge  Ge2  2  0.2247  0.0260  0.3219  1.0
  S  S3  2  0.0171  0.7573  0.2950  1.0
  S  S4  2  0.0216  0.7655  0.7202  1.0
  S  S5  2  0.4282  0.0870  0.5710  1.0
  S  S6  2  0.4322  0.0282  0.1638  1.0
]