data_[Ce3Mg2Ni2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2909]
_cell_length_b [4.2909]
_cell_length_c [14.6238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3Mg2(NiGe2)2]
_chemical_formula_sum '[Ce3 Mg2 Ni2 Ge4]'
_cell_volume [233.1812]
_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  0.0000  0.0000  0.2545  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.3333  0.6667  0.5648  1
  Ni  Ni3  2  0.3333  0.6667  0.1277  1
  Ge  Ge4  2  0.3333  0.6667  0.3678  1
  Ge  Ge5  2  0.3333  0.6667  0.8709  1
]