data_NbAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   149.58
_cell_angle_beta   127.78
_cell_angle_gamma   61.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Bi
_chemical_formula_sum   'Nb1 Ag2 Bi1'
_cell_volume   83.69
_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  0.45  1.0
  Ag  Ag0  1  0.0  0.62  0.09  1.0
  Ag  Ag1  1  0.0  0.0  0.82  1.0
  Bi  Bi2  1  0.56  0.0  0.09  1.0

data_NbAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.24
_cell_length_c   5.95
_cell_angle_alpha   116.11
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Bi
_chemical_formula_sum   'Nb1 Ag2 Bi1'
_cell_volume   83.69
_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  0.45  0.45  1.0
  Ag  Ag1  1  0.0  0.82  0.82  1.0
  Ag  Ag2  1  0.38  0.47  0.47  1.0
  Bi  Bi3  1  0.0  0.09  0.53  1.0

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