data_[Ce4Ni2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.2926]
_cell_length_b [8.2926]
_cell_length_c [4.1702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Ce2NiGe3]
_chemical_formula_sum '[Ce4 Ni2 Ge6]'
_cell_volume [248.3541]
_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  3  0.0000  0.5000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.3333  0.6667  0.0000  1.0
  Ge  Ge3  6  0.1728  0.3457  0.0000  1.0
]