data_[Ni4Ge2]
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 [P-1]
_cell_length_a [4.0834]
_cell_length_b [4.6436]
_cell_length_c [4.7468]
_cell_angle_alpha [63.0913]
_cell_angle_beta [75.9007]
_cell_angle_gamma [64.8186]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni2Ge]
_chemical_formula_sum '[Ni4 Ge2]'
_cell_volume [72.4906]
_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  2  0.0687  0.7184  0.7299  1
  Ni  Ni1  2  0.3952  0.0978  0.7197  1
  Ge  Ge2  2  0.2597  0.6363  0.2211  1
]