data_[Ce16Sn2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3677]
_cell_length_b [13.3929]
_cell_length_c [5.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8SnGe2]
_chemical_formula_sum '[Ce16 Sn2 Ge4]'
_cell_volume [600.0337]
_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
[
  Ce  Ce0  8  0.1779  0.1049  0.0765  1.0
  Ce  Ce1  4  0.0000  0.2428  0.5000  1.0
  Ce  Ce2  4  0.0900  0.5000  0.3311  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge4  4  0.0000  0.3112  0.0000  1.0
]