data_[Li4Ce8Ge4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmc2_1]
_cell_length_a [4.0857]
_cell_length_b [16.5743]
_cell_length_c [11.2283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCe2GeS5]
_chemical_formula_sum '[Li4 Ce8 Ge4 S20]'
_cell_volume [760.3555]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.2154  0.0163  1.0
  Ce  Ce1  4  0.0000  0.1218  0.6812  1.0
  Ce  Ce2  4  0.0000  0.1328  0.3040  1.0
  Ge  Ge3  4  0.0000  0.4333  0.4644  1.0
  S  S4  4  0.0000  0.0441  0.0631  1.0
  S  S5  4  0.0000  0.2946  0.6657  1.0
  S  S6  4  0.0000  0.3129  0.3508  1.0
  S  S7  4  0.0000  0.3606  0.9996  1.0
  S  S8  4  0.0000  0.4990  0.2790  1.0
]