data_[Ru1Se2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9532]
_cell_length_b [8.0941]
_cell_length_c [10.1646]
_cell_angle_alpha [75.5544]
_cell_angle_beta [80.5708]
_cell_angle_gamma [89.8102]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ru(SeBr3)2]
_chemical_formula_sum '[Ru1 Se2 Br6]'
_cell_volume [310.4686]
_cell_formula_units_Z [1]
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
[
  Ru  Ru0  1  0.5000  0.5000  0.5000  1.0
  Se  Se1  2  0.4749  0.7072  0.2864  1.0
  Br  Br2  2  0.0358  0.3453  0.4168  1.0
  Br  Br3  2  0.1870  0.3670  0.9084  1.0
  Br  Br4  2  0.2625  0.0228  0.7240  1.0
]