data_BaNb2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.2
_cell_angle_alpha   99.31
_cell_angle_beta   99.31
_cell_angle_gamma   38.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Ag
_chemical_formula_sum   'Ba1 Nb2 Ag1'
_cell_volume   107.88
_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
  Ba  Ba1  1  0.71  0.0  0.86  1.0
  Nb  Nb2  1  0.98  0.0  0.12  1.0
  Nb  Nb3  1  0.26  0.0  0.77  1.0
  Ag  Ag0  1  0.18  0.0  0.98  1.0

data_BaNb2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.92
_cell_length_c   7.2
_cell_angle_alpha   99.31
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Ag
_chemical_formula_sum   'Ba1 Nb2 Ag1'
_cell_volume   107.88
_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
  Ba  Ba0  1  0.0  0.29  0.14  1.0
  Nb  Nb1  1  0.0  0.02  0.88  1.0
  Nb  Nb2  1  0.0  0.74  0.23  1.0
  Ag  Ag3  1  0.0  0.82  0.02  1.0

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