data_NbAgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   6.91
_cell_angle_alpha   113.09
_cell_angle_beta   113.09
_cell_angle_gamma   31.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgCl2
_chemical_formula_sum   'Nb1 Ag1 Cl2'
_cell_volume   103.05
_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  0.73  0.0  0.37  1.0
  Ag  Ag0  1  0.65  0.0  0.36  1.0
  Cl  Cl1  1  0.49  0.0  0.46  1.0
  Cl  Cl2  1  0.75  0.0  0.27  1.0

data_NbAgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.58
_cell_length_c   6.91
_cell_angle_alpha   113.09
_cell_angle_beta   90.0
_cell_angle_gamma   105.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgCl2
_chemical_formula_sum   'Nb1 Ag1 Cl2'
_cell_volume   103.05
_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  0.27  0.63  1.0
  Ag  Ag1  1  0.0  0.35  0.64  1.0
  Cl  Cl2  1  0.0  0.25  0.73  1.0
  Cl  Cl3  1  0.0  0.51  0.54  1.0

Nb Ag Cl Cl
Nb Ag Cl Cl 0 1 o o o 0 3 o o o 1 2 o o o 