data_NbSi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   135.82
_cell_angle_beta   135.82
_cell_angle_gamma   64.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Ge
_chemical_formula_sum   'Nb1 Si2 Ge1'
_cell_volume   62.11
_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
  Nb  Nb1  1  0.0  0.0  0.29  1.0
  Si  Si2  1  0.0  0.9  0.14  1.0
  Si  Si3  1  0.9  0.0  0.14  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_NbSi2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   122.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSi2Ge
_chemical_formula_sum   'Nb2 Si4 Ge2'
_cell_volume   124.22
_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
  Nb  Nb0  2  0.21  0.5  0.71  1.0
  Si  Si1  4  0.31  0.45  0.76  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0

Nb Si Si Ge
Nb Si Si Ge 0 2 - o o 0 1 o - o 1 2 - + o 1 3 o + o 2 3 + o o 