data_[Ba1Ag2Ru1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-1]
_cell_length_a [6.6592]
_cell_length_b [6.9772]
_cell_length_c [8.8121]
_cell_angle_alpha [90.6900]
_cell_angle_beta [91.0491]
_cell_angle_gamma [109.3600]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAg2RuBr8]
_chemical_formula_sum '[Ba1 Ag2 Ru1 Br8]'
_cell_volume [386.1453]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.0048  0.5067  0.7383  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.2056  0.7599  0.9890  1.0
  Br  Br4  2  0.2411  0.2268  0.8095  1.0
  Br  Br5  2  0.2523  0.2140  0.2030  1.0
  Br  Br6  2  0.2730  0.6926  0.4932  1.0
]