data_NbGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   142.07
_cell_angle_beta   127.72
_cell_angle_gamma   66.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2Bi
_chemical_formula_sum   'Nb1 Ge2 Bi1'
_cell_volume   81.7
_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  Nb3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.8  0.0  0.19  1.0
  Ge  Ge2  1  0.0  0.44  0.45  1.0
  Bi  Bi0  1  0.0  0.0  0.64  1.0

data_NbGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.89
_cell_length_c   5.54
_cell_angle_alpha   116.14
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGe2Bi
_chemical_formula_sum   'Nb1 Ge2 Bi1'
_cell_volume   81.7
_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  Nb0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.55  0.99  0.99  1.0
  Ge  Ge2  1  0.62  0.81  0.62  1.0
  Bi  Bi3  1  0.36  0.36  0.36  1.0

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