data_[Nd6Ge14Ru4]
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 [Cmmm]
_cell_length_a [4.3831]
_cell_length_b [26.0538]
_cell_length_c [4.3668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd3Ge7Ru2]
_chemical_formula_sum '[Nd6 Ge14 Ru4]'
_cell_volume [498.6707]
_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  0.0000  0.1843  0.0000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  4  0.0000  0.0857  0.5000  1.0
  Ge  Ge3  4  0.0000  0.2786  0.5000  1.0
  Ge  Ge4  4  0.0000  0.4127  0.0000  1.0
  Ge  Ge5  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru6  4  0.0000  0.3719  0.5000  1.0
]