data_[Ni16Ge4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2130]
_cell_length_b [3.7011]
_cell_length_c [5.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni8Ge2Sb]
_chemical_formula_sum '[Ni16 Ge4 Sb2]'
_cell_volume [269.2242]
_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  0.0350  0.0000  0.7288  1.0
  Ni  Ni1  4  0.0931  0.5000  0.4681  1.0
  Ni  Ni2  4  0.1639  0.0000  0.2373  1.0
  Ni  Ni3  4  0.1774  0.5000  0.9253  1.0
  Ge  Ge4  4  0.2034  0.0000  0.6698  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
]