data_NbGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   139.59
_cell_angle_beta   125.28
_cell_angle_gamma   70.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeSb2
_chemical_formula_sum   'Nb1 Ge1 Sb2'
_cell_volume   84.43
_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  0.47  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.88  0.0  0.05  1.0
  Sb  Sb3  1  0.0  0.51  0.41  1.0

data_NbGeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.02
_cell_length_c   5.46
_cell_angle_alpha   117.36
_cell_angle_beta   110.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeSb2
_chemical_formula_sum   'Nb1 Ge1 Sb2'
_cell_volume   84.43
_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  0.53  0.53  0.53  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.59  0.1  0.1  1.0
  Sb  Sb3  1  0.83  0.95  0.83  1.0

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