data_[Nd8Si4Ge8]
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/m]
_cell_length_a [11.1264]
_cell_length_b [4.2467]
_cell_length_c [10.9548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2SiGe2]
_chemical_formula_sum '[Nd8 Si4 Ge8]'
_cell_volume [465.1393]
_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  0.0986  0.0000  0.9022  1
  Nd  Nd1  4  0.2022  0.5000  0.6437  1
  Si  Si2  4  0.0586  0.5000  0.2996  1
  Ge  Ge3  4  0.0458  0.0000  0.4114  1
  Ge  Ge4  4  0.1318  0.5000  0.1181  1
]