data_[K2La2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [6.7189]
_cell_length_b [6.7422]
_cell_length_c [8.7269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KLaGeS4]
_chemical_formula_sum '[K2 La2 Ge2 S8]'
_cell_volume [376.8646]
_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  0.2715  0.5149  0.0656  1.0
  La  La1  2  0.2324  0.4999  0.5543  1.0
  Ge  Ge2  2  0.2166  0.0258  0.3127  1.0
  S  S3  2  0.0139  0.7568  0.2797  1.0
  S  S4  2  0.0198  0.7700  0.7324  1.0
  S  S5  2  0.4090  0.0648  0.5707  1.0
  S  S6  2  0.4144  0.0286  0.1521  1.0
]