data_[Ag6Mo2I4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Mo  2.1600  1.4500  0.7750
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0242]
_cell_length_b [8.0459]
_cell_length_c [6.2837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3Mo(IBr3)2]
_chemical_formula_sum '[Ag6 Mo2 I4 Br12]'
_cell_volume [754.4233]
_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
[
  Ag  Ag0  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag1  2  0.0000  0.5000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1759  0.5000  0.2271  1.0
  Br  Br4  8  0.0782  0.2236  0.7375  1.0
  Br  Br5  4  0.1300  0.0000  0.2760  1.0
]