data_[Ce6Fe4Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6767]
_cell_length_b [4.3071]
_cell_length_c [4.7409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Fe2Ge3]
_chemical_formula_sum '[Ce6 Fe4 Ge6]'
_cell_volume [318.0354]
_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  4  0.1672  0.0000  0.5515  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.2084  0.0000  0.1203  1.0
  Ge  Ge3  4  0.1414  0.5000  0.0199  1.0
  Ge  Ge4  2  0.0000  0.5000  0.5000  1.0
]