data_[La16Ni4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9898]
_cell_length_b [14.1909]
_cell_length_c [6.4544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4NiGe]
_chemical_formula_sum '[La16 Ni4 Ge4]'
_cell_volume [699.0749]
_cell_formula_units_Z [4]
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
[
  La  La0  8  0.1215  0.1921  0.5833  1.0
  La  La1  8  0.2232  0.4376  0.8107  1.0
  Ni  Ni2  4  0.0000  0.0063  0.7500  1.0
  Ge  Ge3  4  0.0000  0.3781  0.2500  1.0
]