data_[Nd8Al4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3252]
_cell_length_b [4.3319]
_cell_length_c [10.5535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2AlGe2]
_chemical_formula_sum '[Nd8 Al4 Ge8]'
_cell_volume [467.1090]
_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  0.0061  0.0000  0.6745  1.0
  Nd  Nd1  4  0.1861  0.0000  0.1044  1.0
  Al  Al2  4  0.2136  0.5000  0.3375  1.0
  Ge  Ge3  4  0.0287  0.5000  0.8915  1.0
  Ge  Ge4  4  0.1484  0.5000  0.5655  1.0
]