data_[Ni10Ge12Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [7.7825]
_cell_length_b [8.5911]
_cell_length_c [5.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni5Ge6Ru]
_chemical_formula_sum '[Ni10 Ge12 Ru2]'
_cell_volume [327.2251]
_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
[
  Ni  Ni0  4  0.0000  0.1680  0.5000  1
  Ni  Ni1  4  0.0000  0.3361  0.0000  1
  Ni  Ni2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  8  0.2470  0.3311  0.7486  1
  Ge  Ge4  4  0.2471  0.5000  0.2545  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
]