data_[Ce12Sn8Ge4]
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 [Pnma]
_cell_length_a [12.9222]
_cell_length_b [4.4115]
_cell_length_c [12.0033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce3Sn2Ge]
_chemical_formula_sum '[Ce12 Sn8 Ge4]'
_cell_volume [684.2634]
_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
[
  Ce  Ce0  4  0.0489  0.2500  0.3884  1
  Ce  Ce1  4  0.1170  0.7500  0.9494  1
  Ce  Ce2  4  0.2372  0.2500  0.7168  1
  Sn  Sn3  4  0.0037  0.2500  0.7948  1
  Sn  Sn4  4  0.1936  0.7500  0.4991  1
  Ge  Ge5  4  0.1200  0.2500  0.1314  1
]