data_[Pr4Nd12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7783]
_cell_length_b [4.4845]
_cell_length_c [9.5703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNd3Ge2]
_chemical_formula_sum '[Pr4 Nd12 Ge8]'
_cell_volume [691.5784]
_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
[
  Pr  Pr0  4  0.1155  0.0000  0.1304  1.0
  Nd  Nd1  4  0.0478  0.0000  0.6960  1.0
  Nd  Nd2  4  0.1525  0.5000  0.4748  1.0
  Nd  Nd3  4  0.1906  0.5000  0.8846  1.0
  Ge  Ge4  4  0.0070  0.5000  0.8671  1.0
  Ge  Ge5  4  0.2383  0.0000  0.7141  1.0
]