data_[Nd16Cu2Ge10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.1144]
_cell_length_b [9.1144]
_cell_length_c [9.2300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8CuGe5]
_chemical_formula_sum '[Nd16 Cu2 Ge10]'
_cell_volume [766.7523]
_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  8  0.0641  0.1839  0.1932  1
  Nd  Nd1  8  0.0719  0.3137  0.5643  1
  Cu  Cu2  2  0.0000  0.5000  0.2500  1
  Ge  Ge3  8  0.1252  0.2511  0.8781  1
  Ge  Ge4  2  0.0000  0.0000  0.5000  1
]