data_[Ni10Ge8]
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 [I4/m]
_cell_length_a [9.2010]
_cell_length_b [9.2010]
_cell_length_c [3.0738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ni5Ge4]
_chemical_formula_sum '[Ni10 Ge8]'
_cell_volume [260.2229]
_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  8  0.0857  0.6282  0.5000  1
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  Ge  Ge2  8  0.1294  0.2157  0.5000  1
]