data_[Nd20Ge8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.7592]
_cell_length_b [8.1270]
_cell_length_c [8.1744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd5(GeTe)2]
_chemical_formula_sum '[Nd20 Ge8 Te8]'
_cell_volume [1046.9323]
_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  16  0.1271  0.1656  0.3350  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  8  0.0000  0.1359  0.6342  1
  Te  Te3  8  0.2038  0.0000  0.0000  1
]