data_NbAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   137.05
_cell_angle_beta   137.05
_cell_angle_gamma   62.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2Bi
_chemical_formula_sum   'Nb1 Ag2 Bi1'
_cell_volume   82.44
_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
  Ag  Ag0  1  0.07  0.0  0.41  1.0
  Ag  Ag1  1  0.0  0.07  0.41  1.0
  Bi  Bi2  1  0.0  0.0  0.83  1.0

data_NbAg2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   121.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAg2Bi
_chemical_formula_sum   'Nb2 Ag4 Bi2'
_cell_volume   164.88
_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  0.0  1.0
  Ag  Ag1  4  0.12  0.47  0.65  1.0
  Bi  Bi2  2  0.17  0.0  0.17  1.0

Nb Ag Ag Bi