data_[Nd16Ge4Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8457]
_cell_length_b [4.6806]
_cell_length_c [7.3222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ge2Ru]
_chemical_formula_sum '[Nd16 Ge4 Ru2]'
_cell_volume [637.4382]
_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  0.0114  0.0000  0.7783  1.0
  Nd  Nd1  4  0.0966  0.5000  0.5024  1.0
  Nd  Nd2  4  0.1508  0.5000  0.0101  1.0
  Nd  Nd3  4  0.2168  0.0000  0.3435  1.0
  Ge  Ge4  4  0.1811  0.0000  0.7549  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]