data_[Ti4Ag2Br16]
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/m]
_cell_length_a [12.5898]
_cell_length_b [10.6394]
_cell_length_c [6.7356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2AgBr8]
_chemical_formula_sum '[Ti4 Ag2 Br16]'
_cell_volume [901.6910]
_cell_formula_units_Z [2]
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  0.2007  0.0000  0.6507  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1110  0.1825  0.7732  1.0
  Br  Br3  4  0.1213  0.5000  0.2323  1.0
  Br  Br4  4  0.1898  0.0000  0.2972  1.0
]