data_[K2Ce2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6807]
_cell_length_b [6.6995]
_cell_length_c [8.8581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCeGeS4]
_chemical_formula_sum '[K2 Ce2 Ge2 S8]'
_cell_volume [379.1922]
_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  0.2662  0.2500  0.0644  1.0
  Ce  Ce1  2  0.2322  0.2500  0.5538  1.0
  Ge  Ge2  2  0.2221  0.7500  0.3201  1.0
  S  S3  4  0.0002  0.5064  0.7176  1.0
  S  S4  2  0.4152  0.7500  0.5728  1.0
  S  S5  2  0.4226  0.7500  0.1618  1.0
]