data_Nb2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   2.87
_cell_angle_alpha   99.99
_cell_angle_beta   99.99
_cell_angle_gamma   116.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgCl
_chemical_formula_sum   'Nb2 Ag1 Cl1'
_cell_volume   71.97
_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  Nb2  1  0.96  0.31  0.36  1.0
  Nb  Nb3  1  0.96  0.69  0.36  1.0
  Ag  Ag0  1  0.87  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Nb2AgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   116.28
_cell_angle_beta   99.99
_cell_angle_gamma   99.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgCl
_chemical_formula_sum   'Nb2 Ag1 Cl1'
_cell_volume   71.97
_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  0.36  0.96  0.31  1.0
  Nb  Nb1  1  0.36  0.96  0.69  1.0
  Ag  Ag2  1  0.0  0.87  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Nb Nb Ag Cl