data_[As2Ru2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.7311]
_cell_length_b [3.5433]
_cell_length_c [8.6255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AsRuBr2]
_chemical_formula_sum '[As2 Ru2 Br4]'
_cell_volume [205.6000]
_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
[
  As  As0  2  0.1365  0.0000  0.3290  1
  Ru  Ru1  2  0.4570  0.0000  0.4635  1
  Br  Br2  2  0.1178  0.0000  0.0566  1
  Br  Br3  2  0.2887  0.5000  0.6510  1
]