data_NbGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2Pb
_chemical_formula_sum   'Nb1 Ge2 Pb1'
_cell_volume   99.7
_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  0.94  1.0
  Ge  Ge0  1  0.0  0.0  0.39  1.0
  Ge  Ge1  1  0.0  0.0  0.58  1.0
  Pb  Pb3  1  0.0  0.0  0.5  1.0

data_NbGe2Pb
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.01
_cell_length_b   5.55
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   NbGe2Pb
_chemical_formula_sum   'Nb2 Ge4 Pb2'
_cell_volume   199.41
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  0.0  0.06  1.0
  Ge  Ge1  2  0.0  0.0  0.42  1.0
  Ge  Ge2  2  0.0  0.0  0.61  1.0
  Pb  Pb3  2  0.0  0.0  0.5  1.0

Nb Ge Ge Pb
Nb Ge Ge Pb 0 0 + + o 0 0 o + o 0 0 + o o 0 3 o o o 0 2 o o o 0 1 o o + 1 3 o o o 2 3 o o o 