data_[Ni14Ge6]
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 [12.8735]
_cell_length_b [3.6831]
_cell_length_c [5.0759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni7Ge3]
_chemical_formula_sum '[Ni14 Ge6]'
_cell_volume [234.1383]
_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  0.0881  0.5000  0.8331  1.0
  Ni  Ni1  4  0.1147  0.5000  0.3499  1.0
  Ni  Ni2  4  0.2039  0.0000  0.1317  1.0
  Ni  Ni3  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge4  4  0.1905  0.0000  0.6517  1.0
  Ge  Ge5  2  0.0000  0.0000  0.0000  1.0
]