data_NbAg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.25
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2B
_chemical_formula_sum   'Nb1 Ag2 B1'
_cell_volume   61.07
_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  0.77  0.0  0.42  1.0
  Ag  Ag0  1  0.27  0.12  0.73  1.0
  Ag  Ag1  1  0.26  0.12  0.1  1.0
  B  B2  1  0.0  0.0  0.0  1.0

data_NbAg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.25
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2B
_chemical_formula_sum   'Nb1 Ag2 B1'
_cell_volume   61.07
_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  0.77  0.0  0.42  1.0
  Ag  Ag1  1  0.26  0.12  0.1  1.0
  Ag  Ag2  1  0.27  0.12  0.73  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Nb Ag Ag B
Nb Ag Ag B 0 2 o o o 0 1 + o o 1 3 o o + 1 2 o o + 2 3 o o o 