data_NbGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   141.73
_cell_angle_beta   128.62
_cell_angle_gamma   65.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2Sb
_chemical_formula_sum   'Nb1 Ge2 Sb1'
_cell_volume   76.87
_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
  Ge  Ge0  1  0.78  0.0  0.24  1.0
  Ge  Ge1  1  0.0  0.36  0.32  1.0
  Sb  Sb3  1  0.0  0.0  0.57  1.0

data_NbGe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.72
_cell_length_c   5.44
_cell_angle_alpha   115.69
_cell_angle_beta   109.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2Sb
_chemical_formula_sum   'Nb1 Ge2 Sb1'
_cell_volume   76.87
_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
  Ge  Ge1  1  0.54  0.76  0.54  1.0
  Ge  Ge2  1  0.68  0.03  0.03  1.0
  Sb  Sb3  1  0.43  0.43  0.43  1.0

Nb Ge Ge Sb