data_[Ti4Ag4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6702]
_cell_length_b [6.9024]
_cell_length_c [9.9562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiAgBr5]
_chemical_formula_sum '[Ti4 Ag4 Br20]'
_cell_volume [954.4040]
_cell_formula_units_Z [4]
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
[
  Ti  Ti0  4  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.4551  0.2500  1
  Br  Br2  8  0.1083  0.2745  0.4812  1
  Br  Br3  8  0.1430  0.1885  0.1202  1
  Br  Br4  4  0.0000  0.1538  0.7500  1
]