data_NbAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgBi2
_chemical_formula_sum   'Nb1 Ag1 Bi2'
_cell_volume   103.77
_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  0.9  1.0
  Ag  Ag0  1  0.86  0.86  0.44  1.0
  Bi  Bi1  1  0.0  0.0  0.83  1.0
  Bi  Bi2  1  0.86  0.86  0.51  1.0

data_NbAgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAgBi2
_chemical_formula_sum   'Nb2 Ag2 Bi4'
_cell_volume   207.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.9  1.0
  Ag  Ag1  2  0.36  0.5  0.44  1.0
  Bi  Bi2  2  0.0  0.0  0.83  1.0
  Bi  Bi3  2  0.36  0.5  0.51  1.0

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