data_[Nd16Al4Ge2]
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 [19.1164]
_cell_length_b [5.1797]
_cell_length_c [6.9555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Al2Ge]
_chemical_formula_sum '[Nd16 Al4 Ge2]'
_cell_volume [662.5802]
_cell_formula_units_Z [2]
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  0.0157  0.0000  0.7715  1.0
  Nd  Nd1  4  0.0939  0.5000  0.4612  1.0
  Nd  Nd2  4  0.1567  0.5000  0.9732  1.0
  Nd  Nd3  4  0.2108  0.0000  0.3064  1.0
  Al  Al4  4  0.1800  0.0000  0.7350  1.0
  Ge  Ge5  2  0.0000  0.5000  0.0000  1.0
]