data_[Ni2Ge6]
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 [4.7814]
_cell_length_b [4.8470]
_cell_length_c [6.3527]
_cell_angle_alpha [68.1446]
_cell_angle_beta [84.7428]
_cell_angle_gamma [75.3916]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiGe3]
_chemical_formula_sum '[Ni2 Ge6]'
_cell_volume [132.2263]
_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  0.3873  0.9724  0.3317  1
  Ge  Ge1  2  0.1539  0.8579  0.7257  1
  Ge  Ge2  2  0.2615  0.4891  0.3715  1
  Ge  Ge3  2  0.2702  0.2519  0.9168  1
]