data_[Nd16Si4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1218]
_cell_length_b [13.5590]
_cell_length_c [6.4475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4SiGe]
_chemical_formula_sum '[Nd16 Si4 Ge4]'
_cell_volume [686.9746]
_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  8  0.1264  0.1844  0.0938  1.0
  Nd  Nd1  8  0.1891  0.5693  0.7775  1.0
  Si  Si2  4  0.0000  0.3690  0.7500  1.0
  Ge  Ge3  4  0.0000  0.0019  0.7500  1.0
]