data_[Ce3Zn1Fe2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3335]
_cell_length_b [6.3335]
_cell_length_c [6.9799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3Zn(FeGe3)2]
_chemical_formula_sum '[Ce3 Zn1 Fe2 Ge6]'
_cell_volume [242.4771]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7089  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  1  0.0000  0.0000  0.5000  1
  Fe  Fe3  2  0.3333  0.6667  0.0039  1
  Ge  Ge4  6  0.1971  0.8029  0.2904  1
]