data_[Nb1Ag1Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3110]
_cell_length_b [6.5571]
_cell_length_c [19.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [109.6902]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbAgCl3]
_chemical_formula_sum '[Nb1 Ag1 Cl3]'
_cell_volume [626.6645]
_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  0.6620  0.1619  0.4906  1
  Ag  Ag1  1  0.1052  0.0766  0.5287  1
  Cl  Cl2  1  0.4974  0.9998  0.5985  1
  Cl  Cl3  1  0.6043  0.0038  0.3833  1
  Cl  Cl4  1  0.8098  0.5315  0.4989  1
]