data_NbSnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.6
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   97.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnGe2
_chemical_formula_sum   'Nb1 Sn1 Ge2'
_cell_volume   76.8
_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  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.63  0.0  0.98  1.0
  Ge  Ge0  1  0.14  0.8  0.67  1.0
  Ge  Ge1  1  0.7  0.8  0.28  1.0

data_NbSnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.6
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   97.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnGe2
_chemical_formula_sum   'Nb1 Sn1 Ge2'
_cell_volume   76.8
_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  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.63  0.0  0.98  1.0
  Ge  Ge2  1  0.14  0.8  0.67  1.0
  Ge  Ge3  1  0.7  0.8  0.28  1.0

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