data_[Ce6Ni8Ge8]
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 [Immm]
_cell_length_a [4.0254]
_cell_length_b [4.1641]
_cell_length_c [23.9553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3(NiGe)4]
_chemical_formula_sum '[Ce6 Ni8 Ge8]'
_cell_volume [401.5422]
_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  0.0000  0.5000  0.3491  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  4  0.0000  0.0000  0.2491  1
  Ni  Ni3  4  0.0000  0.5000  0.0978  1
  Ge  Ge4  4  0.0000  0.0000  0.0530  1
  Ge  Ge5  4  0.0000  0.5000  0.1971  1
]