data_[Ni8Ge8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7823]
_cell_length_b [3.7992]
_cell_length_c [4.9837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiGe]
_chemical_formula_sum '[Ni8 Ge8]'
_cell_volume [218.9837]
_cell_formula_units_Z [8]
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  0.2057  0.0000  0.3285  1.0
  Ni  Ni1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge3  4  0.0714  0.5000  0.2884  1.0
  Ge  Ge4  4  0.1847  0.0000  0.8245  1.0
]