data_[Nd4Ge2Ru2]
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 [P2_1/m]
_cell_length_a [6.1111]
_cell_length_b [3.8528]
_cell_length_c [8.7873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2GeRu]
_chemical_formula_sum '[Nd4 Ge2 Ru2]'
_cell_volume [195.8339]
_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  2  0.2002  0.7500  0.4164  1
  Nd  Nd1  2  0.2789  0.2500  0.0572  1
  Ge  Ge2  2  0.3482  0.2500  0.7165  1
  Ru  Ru3  2  0.1150  0.7500  0.7851  1
]