data_[Nb1Tl1Ag2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3997]
_cell_length_b [7.2895]
_cell_length_c [9.0829]
_cell_angle_alpha [111.7612]
_cell_angle_beta [90.3582]
_cell_angle_gamma [98.1983]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NbTl(AgCl4)2]
_chemical_formula_sum '[Nb1 Tl1 Ag2 Cl8]'
_cell_volume [388.6984]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.4846  0.6497  0.6819  1.0
  Cl  Cl3  2  0.0958  0.7722  0.7485  1.0
  Cl  Cl4  2  0.1380  0.8127  0.1316  1.0
  Cl  Cl5  2  0.3378  0.2067  0.0342  1.0
  Cl  Cl6  2  0.4455  0.2652  0.5640  1.0
]