data_Fe3Ni3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   33.54
_cell_angle_beta   33.54
_cell_angle_gamma   33.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni3Ge2
_chemical_formula_sum   'Fe3 Ni3 Ge2'
_cell_volume   93.92
_cell_formula_units_Z   1
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  1  0.0  0.0  0.4  1.0
  Fe  Fe1  1  0.0  0.0  0.47  1.0
  Fe  Fe2  1  0.0  0.0  0.38  1.0
  Ni  Ni3  1  0.0  0.0  0.44  1.0
  Ni  Ni4  1  0.0  0.0  0.97  1.0
  Ni  Ni5  1  0.0  0.0  0.87  1.0
  Ge  Ge6  1  0.0  0.0  0.01  1.0
  Ge  Ge7  1  0.0  0.0  0.92  1.0

data_Fe3Ni3Ge2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   4.05
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe3Ni3Ge2
_chemical_formula_sum   'Fe6 Ni6 Ge4'
_cell_volume   187.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.53  1.0
  Fe  Fe1  2  -0.0  0.0  0.6  1.0
  Fe  Fe2  2  -0.0  0.0  0.62  1.0
  Ni  Ni3  2  -0.0  0.0  0.56  1.0
  Ni  Ni4  2  0.0  0.0  0.03  1.0
  Ni  Ni5  2  0.0  0.0  0.13  1.0
  Ge  Ge6  2  -0.0  0.0  0.99  1.0
  Ge  Ge7  2  0.0  0.0  0.08  1.0

Fe Fe Fe Ni Ni Ni Ge Ge