data_[Ce12Sn4Ge2]
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 [Immm]
_cell_length_a [4.9497]
_cell_length_b [6.8886]
_cell_length_c [16.8274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce6Sn2Ge]
_chemical_formula_sum '[Ce12 Sn4 Ge2]'
_cell_volume [573.7535]
_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  0.0000  0.1990  0.8381  1
  Ce  Ce1  4  0.0000  0.2508  0.5000  1
  Sn  Sn2  4  0.0000  0.0000  0.3364  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
]