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 [6.5957]
_cell_length_b [6.7319]
_cell_length_c [8.7837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KGdGeS4]
_chemical_formula_sum '[K2 Gd2 Ge2 S8]'
_cell_volume [372.5526]
_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  0.2685  0.9905  0.0657  1
  Gd  Gd1  2  0.2286  0.0102  0.5512  1
  Ge  Ge2  2  0.2264  0.4735  0.3263  1
  S  S3  2  0.0221  0.7443  0.3000  1
  S  S4  2  0.0231  0.7373  0.7199  1
  S  S5  2  0.4297  0.4720  0.1677  1
  S  S6  2  0.4325  0.4053  0.5720  1
]