data_NbGeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeBi
_chemical_formula_sum   'Nb1 Ge1 Bi1'
_cell_volume   63.98
_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  0.8  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.42  0.4  0.57  1.0

data_NbGeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGeBi
_chemical_formula_sum   'Nb1 Ge1 Bi1'
_cell_volume   63.98
_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  0.8  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.57  0.42  0.4  1.0

Nb Ge Bi
Nb Ge Bi 0 1 o + o 0 2 o + o 0 2 o + - 0 2 - o o 0 2 - o - 1 2 o o o 1 2 o o - 1 2 - - - 2 2 o o + 