data_[Pr6Nd3Ni6Ge6]
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
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2406]
_cell_length_b [4.2406]
_cell_length_c [33.2761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Nd(NiGe)2]
_chemical_formula_sum '[Pr6 Nd3 Ni6 Ge6]'
_cell_volume [518.2129]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1143  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  6  0.0000  0.0000  0.3920  1.0
  Ge  Ge3  6  0.0000  0.0000  0.2724  1.0
]