data_[Ce16Ge8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [6.2136]
_cell_length_b [20.7901]
_cell_length_c [6.1994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Ce2GeCl]
_chemical_formula_sum '[Ce16 Ge8 Cl8]'
_cell_volume [800.8543]
_cell_formula_units_Z [8]
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
[
  Ce  Ce0  8  0.0000  0.1558  0.5016  1
  Ce  Ce1  8  0.2333  0.0000  0.2535  1
  Ge  Ge2  8  0.0000  0.1017  0.9950  1
  Cl  Cl3  8  0.2500  0.2500  0.2501  1
]