data_[Nd12Ni4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1278]
_cell_length_b [4.1941]
_cell_length_c [8.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3NiGe]
_chemical_formula_sum '[Nd12 Ni4 Ge4]'
_cell_volume [523.4163]
_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
[
  Nd  Nd0  4  0.0423  0.5000  0.6812  1.0
  Nd  Nd1  4  0.1058  0.0000  0.0550  1.0
  Nd  Nd2  4  0.2443  0.5000  0.3044  1.0
  Ni  Ni3  4  0.2112  0.5000  0.9407  1.0
  Ge  Ge4  4  0.1106  0.0000  0.4312  1.0
]