data_[Fe4Ni16Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [12.7569]
_cell_length_b [3.5629]
_cell_length_c [5.6041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2Ni8Ge]
_chemical_formula_sum '[Fe4 Ni16 Ge2]'
_cell_volume [245.8886]
_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
[
  Fe  Fe0  4  0.2252  0.0000  0.6439  1.0
  Ni  Ni1  4  0.0450  0.0000  0.7250  1.0
  Ni  Ni2  4  0.0927  0.5000  0.4558  1.0
  Ni  Ni3  4  0.1404  0.0000  0.1879  1.0
  Ni  Ni4  4  0.1818  0.5000  0.9098  1.0
  Ge  Ge5  2  0.0000  0.5000  0.0000  1.0
]