data_[Ce2Cu2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2415]
_cell_length_b [8.3724]
_cell_length_c [6.3044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeCuGe3]
_chemical_formula_sum '[Ce2 Cu2 Ge6]'
_cell_volume [212.3987]
_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  2  0.0030  0.7500  0.4924  1
  Cu  Cu1  2  0.3205  0.7500  0.0920  1
  Ge  Ge2  4  0.4421  0.5054  0.2977  1
  Ge  Ge3  2  0.2605  0.2500  0.0872  1
]