data_[Ag4Ru4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2710]
_cell_length_b [16.9655]
_cell_length_c [6.5435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgRuBr4]
_chemical_formula_sum '[Ag4 Ru4 Br16]'
_cell_volume [737.3591]
_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
[
  Ag  Ag0  4  0.0000  0.1223  0.2500  1.0
  Ru  Ru1  4  0.0000  0.4424  0.7500  1.0
  Br  Br2  8  0.2123  0.6668  0.2674  1.0
  Br  Br3  8  0.2161  0.5439  0.7288  1.0
]