data_[Fe4Ni2Ge4]
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 [Amm2]
_cell_length_a [3.0275]
_cell_length_b [3.8422]
_cell_length_c [11.7429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Fe2NiGe2]
_chemical_formula_sum '[Fe4 Ni2 Ge4]'
_cell_volume [136.5956]
_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  2  0.0000  0.0000  0.2227  1
  Fe  Fe1  2  0.5000  0.0000  0.7662  1
  Ni  Ni2  2  0.5000  0.0000  0.0298  1
  Ge  Ge3  2  0.0000  0.0000  0.5920  1
  Ge  Ge4  2  0.5000  0.0000  0.3913  1
]